8007-6261 Screening compound: 3-[6-amino-8-(benzylsulfanyl)-3H-purin-3-yl]-1,2-propanediol

8007-6261 Screening compound: 3-[6-amino-8-(benzylsulfanyl)-3H-purin-3-yl]-1,2-propanediol
8007-6261 Screening compound: 3-[6-amino-8-(benzylsulfanyl)-3H-purin-3-yl]-1,2-propanediol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-6261
3-[6-amino-8-(benzylsulfanyl)-3H-purin-3-yl]-1,2-propanediol

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

8007-6261

Molecular Formula

C15H17N5O2S (C15 H17 N5 O2 S)

Compound Name

3-[6-amino-8-(benzylsulfanyl)-3H-purin-3-yl]-1,2-propanediol

IUPAC name

3-[6-amino-8-(benzylsulfanyl)-3H-purin-3-yl]propane-12-diol

SMILES

NC(N=CN(CC(CO)O)C1=N2)=C1N=C2SCc1ccccc1

InChI

InChI=1S/C15H17N5O2S/c16-13-12-14(20(9-17-13)6-11(22)7-21)19-15(18-12)23-8-10-4-2-1-3-5-10/h1-5,9,11,21-22H,6-8,16H2/t11-/m0/s1

InChI Key

SNDFULYPDOKCIL-NSHDSACASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.897

Distribution Coefficient, logD

0.716

Water Solubility, LogSw

-1.32

Polar Surface Area

83.777

Acid Dissociation Constant (pKa)

14.58

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.67

8007-6261 in Drug Discovery

Included in Screening Libraries

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

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8007-6261 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8007-6261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-6261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-6261
  • 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 8007-6261 available by request