7599-0949 Screening compound: 9-[(2-furylmethyl)amino]-4H,5H-imidazo[1,2,3-cd]purin-6-ium

7599-0949 Screening compound: 9-[(2-furylmethyl)amino]-4H,5H-imidazo[1,2,3-cd]purin-6-ium
7599-0949 Screening compound: 9-[(2-furylmethyl)amino]-4H,5H-imidazo[1,2,3-cd]purin-6-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 7599-0949
9-[(2-furylmethyl)amino]-4H,5H-imidazo[1,2,3-cd]purin-6-ium

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

7599-0949

Molecular Formula

C12H12N5O (C12 H12 N5 O)

Compound Name

9-[(2-furylmethyl)amino]-4H,5H-imidazo[1,2,3-cd]purin-6-ium

IUPAC name

8-{[(furan-2-yl)methyl]amino}-1lambda5469-tetraazatricyclo[5.3.1.0^{411}]undeca-1(10)57(11)8-tetraen-1-ylium

SMILES

C(c1ccco1)Nc1nc[n+]2c3c1ncn3CC2

InChI

InChI=1S/C12H11N5O/c1-2-9(18-5-1)6-13-11-10-12-16(7-14-10)3-4-17(12)8-15-11/h1-2,5,7-8H,3-4,6H2/p+1

InChI Key

CMRZPCFQWWXGHV-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD09267117

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

242.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.945

Distribution Coefficient, logD

0.944

Water Solubility, LogSw

-1.53

Polar Surface Area

41.382

Acid Dissociation Constant (pKa)

16.91

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

7599-0949 in Drug Discovery

Included in Screening Libraries

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

Nucleoside Mimetics Library (2197 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Mimetics
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 7599-0949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7599-0949?
Check Price and Availability of 7599-0949, 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 7599-0949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7599-0949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7599-0949
  • 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 7599-0949 available by request