C301-6967 Screening compound: 6-methyl-9-phenyl-2-(phenylamino)-9H-purine-8-thiol

C301-6967 Screening compound: 6-methyl-9-phenyl-2-(phenylamino)-9H-purine-8-thiol
C301-6967 Screening compound: 6-methyl-9-phenyl-2-(phenylamino)-9H-purine-8-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6967
6-methyl-9-phenyl-2-(phenylamino)-9H-purine-8-thiol

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

C301-6967

Molecular Formula

C18H15N5S (C18 H15 N5 S)

Compound Name

6-methyl-9-phenyl-2-(phenylamino)-9H-purine-8-thiol

IUPAC name

6-methyl-9-phenyl-2-(phenylamino)-9H-purine-8-thiol

SMILES

Cc1nc(Nc2ccccc2)nc(n2-c3ccccc3)c1nc2S

InChI

InChI=1S/C18H15N5S/c1-12-15-16(22-17(19-12)20-13-8-4-2-5-9-13)23(18(24)21-15)14-10-6-3-7-11-14/h2-11H,1H3,(H,21,24)(H,19,20,22)

InChI Key

YWGOPKFYTACAES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13899610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.164

Distribution Coefficient, logD

4.152

Water Solubility, LogSw

-4.28

Polar Surface Area

40.790

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

C301-6967 in Drug Discovery

Included in Screening Libraries

Proline Kinase Library (2105 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C301-6967 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6967?
Check Price and Availability of C301-6967, 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 C301-6967 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6967
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6967
  • 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 C301-6967 available by request