C202-3752 Screening compound: 7-(4-methoxyphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-N-phenyl-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C202-3752 Screening compound: 7-(4-methoxyphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-N-phenyl-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
C202-3752 Screening compound: 7-(4-methoxyphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-N-phenyl-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3752
7-(4-methoxyphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-N-phenyl-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

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

C202-3752

Molecular Formula

C28H29N5O2S (C28 H29 N5 O2 S)

Compound Name

7-(4-methoxyphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-N-phenyl-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

IUPAC name

7-(4-methoxyphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-N-phenyl-4H5H6H7H-[124]triazolo[15-a]pyrimidine-6-carboxamide

SMILES

CC(C1C(Nc2ccccc2)=O)Nc2nc(SCc3cc(C)ccc3)nn2C1c(cc1)ccc1OC

InChI

InChI=1S/C28H29N5O2S/c1-18-8-7-9-20(16-18)17-36-28-31-27-29-19(2)24(26(34)30-22-10-5-4-6-11-22)25(33(27)32-28)21-12-14-23(35-3)15-13-21/h4-16,19,24-25H,17H2,1-3H3,(H,30,34)(H,29,31,32)

InChI Key

YKXHENRTAPQZCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14731751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.880

Distribution Coefficient, logD

5.880

Water Solubility, LogSw

-5.58

Polar Surface Area

66.966

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

25.00

C202-3752 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C202-3752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3752?
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What is the minimum amount of C202-3752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3752
  • 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 C202-3752 available by request