C202-3130 Screening compound: 2-{[(2-methoxyphenyl)methyl]sulfanyl}-5-methyl-N-(4-methylphenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C202-3130 Screening compound: 2-{[(2-methoxyphenyl)methyl]sulfanyl}-5-methyl-N-(4-methylphenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
C202-3130 Screening compound: 2-{[(2-methoxyphenyl)methyl]sulfanyl}-5-methyl-N-(4-methylphenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3130
2-{[(2-methoxyphenyl)methyl]sulfanyl}-5-methyl-N-(4-methylphenyl)-7-phenyl-4H,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

C202-3130

Molecular Formula

C28H27N5O2S (C28 H27 N5 O2 S)

Compound Name

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

IUPAC name

2-{[(2-methoxyphenyl)methyl]sulfanyl}-5-methyl-N-(4-methylphenyl)-7-phenyl-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxamide

SMILES

Cc(cc1)ccc1NC(C1=C(C)Nc2nc(SCc(cccc3)c3OC)nn2C1c1ccccc1)=O

InChI

InChI=1S/C28H27N5O2S/c1-18-13-15-22(16-14-18)30-26(34)24-19(2)29-27-31-28(36-17-21-11-7-8-12-23(21)35-3)32-33(27)25(24)20-9-5-4-6-10-20/h4-16,25H,17H2,1-3H3,(H,30,34)(H,29,31,32)/t25-/m0/s1

InChI Key

BLXHRZGESFVKNL-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14731500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.62

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

6.096

Distribution Coefficient, logD

6.096

Water Solubility, LogSw

-5.52

Polar Surface Area

66.221

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

C202-3130 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C202-3130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3130?
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What is the minimum amount of C202-3130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3130
  • 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 C202-3130 available by request