6160-0001 Screening compound: N-{9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydroxy-9H-purin-2-yl}-2-methylpropanamide

6160-0001 Screening compound: N-{9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydroxy-9H-purin-2-yl}-2-methylpropanamide
6160-0001 Screening compound: N-{9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydroxy-9H-purin-2-yl}-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6160-0001
N-{9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydroxy-9H-purin-2-yl}-2-methylpropanamide

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

6160-0001

Molecular Formula

C14H19N5O6 (C14 H19 N5 O6)

Compound Name

N-{9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydroxy-9H-purin-2-yl}-2-methylpropanamide

IUPAC name

N-{9-[34-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydroxy-9H-purin-2-yl}-2-methylpropanamide

SMILES

CC(C)C(Nc1nc(O)c2ncn(C(C3O)OC(CO)C3O)c2n1)=O

InChI

InChI=1S/C14H19N5O6/c1-5(2)11(23)17-14-16-10-7(12(24)18-14)15-4-19(10)13-9(22)8(21)6(3-20)25-13/h4-6,8-9,13,20-22H,3H2,1-2H3,(H2,16,17,18,23,24)

InChI Key

OXTYJSXVUGJSGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01222767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.33

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.500

Distribution Coefficient, logD

-1.538

Water Solubility, LogSw

-1.50

Polar Surface Area

129.232

Acid Dissociation Constant (pKa)

6.40

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

57.10

6160-0001 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Glucocorticoid receptors Library (4806 compounds)

Nucleoside Mimetics Library (2197 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Akt-Targeted Library (14764 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Proteases
  • Nuclear receptors
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 6160-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6160-0001?
Check Price and Availability of 6160-0001, 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 6160-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6160-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6160-0001
  • 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 6160-0001 available by request