7599-1496 Screening compound: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-sulfanylidene-6,7,8,9-tetrahydro-1H-purin-6-one

7599-1496 Screening compound: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-sulfanylidene-6,7,8,9-tetrahydro-1H-purin-6-one
7599-1496 Screening compound: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-sulfanylidene-6,7,8,9-tetrahydro-1H-purin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7599-1496
2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-sulfanylidene-6,7,8,9-tetrahydro-1H-purin-6-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

7599-1496

Molecular Formula

C10H13N5O5S (C10 H13 N5 O5 S)

Compound Name

2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-sulfanylidene-6,7,8,9-tetrahydro-1H-purin-6-one

IUPAC name

2-amino-9-[(2R3R4S5R)-34-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-sulfanylidene-6789-tetrahydro-1H-purin-6-one

SMILES

NC(NC1=O)=NC(N2[C@H]([C@H]3O)O[C@@H](CO)[C@@H]3O)=C1NC2=S

InChI

InChI=1S/C10H13N5O5S/c11-9-13-6-3(7(19)14-9)12-10(21)15(6)8-5(18)4(17)2(1-16)20-8/h2,4-5,8,16-18H,1H2,(H,12,21)(H3,11,13,14,19)/t2-,4-,5+,8+/m1/s1

InChI Key

KZELNMSPWPFAEB-UZJDFGQCSA-N

MDL Number (MFCD)

MFCD01081756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

7.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-2.060

Distribution Coefficient, logD

-2.073

Water Solubility, LogSw

-1.66

Polar Surface Area

126.169

Acid Dissociation Constant (pKa)

8.92

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

50.00

7599-1496 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Glucocorticoid receptors Library (4806 compounds)

Nucleoside Mimetics Library (2197 compounds)

Regenerative Medicine Focused Library (23016 compounds)

STING Agonist Library (5895 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Immune system
Targets:
  • Nuclear receptors
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 7599-1496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7599-1496?
Check Price and Availability of 7599-1496, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 7599-1496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7599-1496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7599-1496
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 7599-1496 available by request