C202-2728 Screening compound: 4-(2-{2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamido)benzoic acid

C202-2728 Screening compound: 4-(2-{2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamido)benzoic acid
C202-2728 Screening compound: 4-(2-{2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-2728
4-(2-{2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamido)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

C202-2728

Molecular Formula

C29H26N4O5S (C29 H26 N4 O5 S)

Compound Name

4-(2-{2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamido)benzoic acid

IUPAC name

4-(2-{2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-45-dihydro-1H-pyrazol-1-yl]-4-oxo-45-dihydro-13-thiazol-5-yl}acetamido)benzoic acid

SMILES

Cc(cc1)ccc1C(CC1c(cc2)ccc2OC)=NN1C(SC1CC(Nc(cc2)ccc2C(O)=O)=O)=NC1=O

InChI

InChI=1S/C29H26N4O5S/c1-17-3-5-18(6-4-17)23-15-24(19-9-13-22(38-2)14-10-19)33(32-23)29-31-27(35)25(39-29)16-26(34)30-21-11-7-20(8-12-21)28(36)37/h3-14,24-25H,15-16H2,1-2H3,(H,30,34)(H,36,37)

InChI Key

GBVMDCBNJHTGNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14731213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.264

Distribution Coefficient, logD

2.868

Water Solubility, LogSw

-4.95

Polar Surface Area

94.924

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.70

C202-2728 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C202-2728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2728?
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What is the minimum amount of C202-2728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2728
  • 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 C202-2728 available by request