C301-8140 Screening compound: 9-(4-ethylphenyl)-2-[(4-ethylphenyl)amino]-6-methyl-9H-purine-8-thiol

C301-8140 Screening compound: 9-(4-ethylphenyl)-2-[(4-ethylphenyl)amino]-6-methyl-9H-purine-8-thiol
C301-8140 Screening compound: 9-(4-ethylphenyl)-2-[(4-ethylphenyl)amino]-6-methyl-9H-purine-8-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8140
9-(4-ethylphenyl)-2-[(4-ethylphenyl)amino]-6-methyl-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

C301-8140

Molecular Formula

C22H23N5S (C22 H23 N5 S)

Compound Name

9-(4-ethylphenyl)-2-[(4-ethylphenyl)amino]-6-methyl-9H-purine-8-thiol

IUPAC name

9-(4-ethylphenyl)-2-[(4-ethylphenyl)amino]-6-methyl-9H-purine-8-thiol

SMILES

CCc(cc1)ccc1Nc(nc1C)nc(n2-c3ccc(CC)cc3)c1nc2S

InChI

InChI=1S/C22H23N5S/c1-4-15-6-10-17(11-7-15)24-21-23-14(3)19-20(26-21)27(22(28)25-19)18-12-8-16(5-2)9-13-18/h6-13H,4-5H2,1-3H3,(H,25,28)(H,23,24,26)

InChI Key

ASBQDMFZVLHUKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.338

Distribution Coefficient, logD

6.326

Water Solubility, LogSw

-5.79

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

22.70

C301-8140 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 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 C301-8140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8140?
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What is the minimum amount of C301-8140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8140
  • 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 C301-8140 available by request