D058-0267 Screening compound: 8-{[(1-benzyl-1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-9H-purin-6-amine

D058-0267 Screening compound: 8-{[(1-benzyl-1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-9H-purin-6-amine
D058-0267 Screening compound: 8-{[(1-benzyl-1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-9H-purin-6-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D058-0267
8-{[(1-benzyl-1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-9H-purin-6-amine

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

D058-0267

Molecular Formula

C20H17N7S (C20 H17 N7 S)

Compound Name

8-{[(1-benzyl-1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-9H-purin-6-amine

IUPAC name

8-{[(1-benzyl-1H-13-benzodiazol-2-yl)methyl]sulfanyl}-9H-purin-6-amine

SMILES

Nc1ncnc([nH]2)c1nc2SCc1nc(cccc2)c2n1Cc1ccccc1

InChI

InChI=1S/C20H17N7S/c21-18-17-19(23-12-22-18)26-20(25-17)28-11-16-24-14-8-4-5-9-15(14)27(16)10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H3,21,22,23,25,26)

InChI Key

PFRQOJDBPCMJTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02232836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.287

Distribution Coefficient, logD

3.051

Water Solubility, LogSw

-3.31

Polar Surface Area

71.488

Acid Dissociation Constant (pKa)

7.55

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

D058-0267 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with D058-0267 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D058-0267?
Check Price and Availability of D058-0267, 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 D058-0267 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D058-0267
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D058-0267
  • 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 D058-0267 available by request