C301-9168 Screening compound: 6,8-dimethyl-N,9-bis(4-methylphenyl)-9H-purin-2-amine

C301-9168 Screening compound: 6,8-dimethyl-N,9-bis(4-methylphenyl)-9H-purin-2-amine
C301-9168 Screening compound: 6,8-dimethyl-N,9-bis(4-methylphenyl)-9H-purin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9168
6,8-dimethyl-N,9-bis(4-methylphenyl)-9H-purin-2-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

C301-9168

Molecular Formula

C21H21N5 (C21 H21 N5)

Compound Name

6,8-dimethyl-N,9-bis(4-methylphenyl)-9H-purin-2-amine

IUPAC name

68-dimethyl-N9-bis(4-methylphenyl)-9H-purin-2-amine

SMILES

Cc1nc2c(C)nc(Nc3ccc(C)cc3)nc2n1-c1ccc(C)cc1

InChI

InChI=1S/C21H21N5/c1-13-5-9-17(10-6-13)24-21-22-15(3)19-20(25-21)26(16(4)23-19)18-11-7-14(2)8-12-18/h5-12H,1-4H3,(H,22,24,25)

InChI Key

CPMMBTKAFCTSLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.143

Distribution Coefficient, logD

5.143

Water Solubility, LogSw

-5.19

Polar Surface Area

42.511

Acid Dissociation Constant (pKa)

18.72

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C301-9168 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C301-9168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9168?
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What is the minimum amount of C301-9168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9168
  • 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 C301-9168 available by request