C202-2785 Screening compound: 4-[2-(benzylsulfanyl)-6-[(2,4-dimethylphenyl)carbamoyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoic acid

C202-2785 Screening compound: 4-[2-(benzylsulfanyl)-6-[(2,4-dimethylphenyl)carbamoyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoic acid
C202-2785 Screening compound: 4-[2-(benzylsulfanyl)-6-[(2,4-dimethylphenyl)carbamoyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-2785
4-[2-(benzylsulfanyl)-6-[(2,4-dimethylphenyl)carbamoyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoic acid

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

C202-2785

Molecular Formula

C29H27N5O3S (C29 H27 N5 O3 S)

Compound Name

4-[2-(benzylsulfanyl)-6-[(2,4-dimethylphenyl)carbamoyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoic acid

IUPAC name

4-[2-(benzylsulfanyl)-6-[(24-dimethylphenyl)carbamoyl]-5-methyl-4H7H-[124]triazolo[15-a]pyrimidin-7-yl]benzoic acid

SMILES

Cc(cc1)cc(C)c1NC(C1=C(C)Nc2nc(SCc3ccccc3)nn2C1c(cc1)ccc1C(O)=O)=O

InChI

InChI=1S/C29H27N5O3S/c1-17-9-14-23(18(2)15-17)31-26(35)24-19(3)30-28-32-29(38-16-20-7-5-4-6-8-20)33-34(28)25(24)21-10-12-22(13-11-21)27(36)37/h4-15,25H,16H2,1-3H3,(H,31,35)(H,36,37)(H,30,32,33)/t25-/m0/s1

InChI Key

ZIMJYRNFCCEMMM-VWLOTQADSA-N

MDL Number (MFCD)

MFCD08832370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.816

Distribution Coefficient, logD

2.844

Water Solubility, LogSw

-5.40

Polar Surface Area

86.301

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.20

C202-2785 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C202-2785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2785?
Check Price and Availability of C202-2785, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C202-2785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2785
  • 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 C202-2785 available by request