C202-2544 Screening compound: 4-(2-{[(4-chlorophenyl)methyl]sulfanyl}-6-[(2,4-dimethylphenyl)carbamoyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid

C202-2544 Screening compound: 4-(2-{[(4-chlorophenyl)methyl]sulfanyl}-6-[(2,4-dimethylphenyl)carbamoyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid
C202-2544 Screening compound: 4-(2-{[(4-chlorophenyl)methyl]sulfanyl}-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 C202-2544
4-(2-{[(4-chlorophenyl)methyl]sulfanyl}-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

C202-2544

Molecular Formula

C29H26ClN5O3S (C29 H26 ClN5 O3 S)

Compound Name

4-(2-{[(4-chlorophenyl)methyl]sulfanyl}-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-{[(4-chlorophenyl)methyl]sulfanyl}-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(SCc(cc3)ccc3Cl)nn2C1c(cc1)ccc1C(O)=O)=O

InChI

InChI=1S/C29H26ClN5O3S/c1-16-4-13-23(17(2)14-16)32-26(36)24-18(3)31-28-33-29(39-15-19-5-11-22(30)12-6-19)34-35(28)25(24)20-7-9-21(10-8-20)27(37)38/h4-14,25H,15H2,1-3H3,(H,32,36)(H,37,38)(H,31,33,34)/t25-/m0/s1

InChI Key

TYNKIRRDQHHVDC-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14731081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.08

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

6.411

Distribution Coefficient, logD

3.439

Water Solubility, LogSw

-6.12

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

References: we are preparing a list of scientific research reports with C202-2544 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C202-2544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2544
  • 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 C202-2544 available by request