C301-7111 Screening compound: 9-(3-methylphenyl)-2-[(3-methylphenyl)amino]-9H-purine-8-thiol

C301-7111 Screening compound: 9-(3-methylphenyl)-2-[(3-methylphenyl)amino]-9H-purine-8-thiol
C301-7111 Screening compound: 9-(3-methylphenyl)-2-[(3-methylphenyl)amino]-9H-purine-8-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-7111
9-(3-methylphenyl)-2-[(3-methylphenyl)amino]-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

C301-7111

Molecular Formula

C19H17N5S (C19 H17 N5 S)

Compound Name

9-(3-methylphenyl)-2-[(3-methylphenyl)amino]-9H-purine-8-thiol

IUPAC name

9-(3-methylphenyl)-2-[(3-methylphenyl)amino]-9H-purine-8-thiol

SMILES

Cc1cccc(Nc(nc2)nc(n3-c4cc(C)ccc4)c2nc3S)c1

InChI

InChI=1S/C19H17N5S/c1-12-5-3-7-14(9-12)21-18-20-11-16-17(23-18)24(19(25)22-16)15-8-4-6-13(2)10-15/h3-11H,1-2H3,(H,22,25)(H,20,21,23)

InChI Key

MFECBLHNNQJLPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13899611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.44

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

4.864

Distribution Coefficient, logD

4.862

Water Solubility, LogSw

-4.53

Polar Surface Area

39.964

Acid Dissociation Constant (pKa)

9.93

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

C301-7111 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C301-7111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-7111?
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What is the minimum amount of C301-7111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-7111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-7111
  • 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 C301-7111 available by request