C202-3751 Screening compound: 7-(3-bromophenyl)-N-(2,4-dimethylphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C202-3751 Screening compound: 7-(3-bromophenyl)-N-(2,4-dimethylphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
C202-3751 Screening compound: 7-(3-bromophenyl)-N-(2,4-dimethylphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3751
7-(3-bromophenyl)-N-(2,4-dimethylphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-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

C202-3751

Molecular Formula

C29H30BrN5OS (C29 H30 BrN5 OS)

Compound Name

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

IUPAC name

7-(3-bromophenyl)-N-(24-dimethylphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4H5H6H7H-[124]triazolo[15-a]pyrimidine-6-carboxamide

SMILES

CC(C1C(Nc2c(C)cc(C)cc2)=O)Nc2nc(SCc3cc(C)ccc3)nn2C1c1cccc(Br)c1

InChI

InChI=1S/C29H30BrN5OS/c1-17-7-5-8-21(14-17)16-37-29-33-28-31-20(4)25(27(36)32-24-12-11-18(2)13-19(24)3)26(35(28)34-29)22-9-6-10-23(30)15-22/h5-15,20,25-26H,16H2,1-4H3,(H,32,36)(H,31,33,34)

InChI Key

XHUSRGAABKMIKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14731750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

576.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.679

Distribution Coefficient, logD

7.679

Water Solubility, LogSw

-5.58

Polar Surface Area

58.724

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

27.60

C202-3751 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral HBV Library (10007 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C202-3751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3751?
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What is the minimum amount of C202-3751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3751
  • 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 C202-3751 available by request