C202-1935 Screening compound: 3-[2-(2-{[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-methoxyphenyl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamido]benzoic acid

C202-1935 Screening compound: 3-[2-(2-{[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-methoxyphenyl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamido]benzoic acid
C202-1935 Screening compound: 3-[2-(2-{[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-methoxyphenyl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-1935
3-[2-(2-{[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-methoxyphenyl)methyl]amino}-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

C202-1935

Molecular Formula

C24H21N5O8S (C24 H21 N5 O8 S)

Compound Name

3-[2-(2-{[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-methoxyphenyl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamido]benzoic acid

IUPAC name

3-[2-(2-{[(6-hydroxy-24-dioxo-1234-tetrahydropyrimidin-5-yl)(4-methoxyphenyl)methyl]amino}-4-oxo-45-dihydro-13-thiazol-5-yl)acetamido]benzoic acid

SMILES

COc1ccc(C(C(C(NC(N2)=O)=O)=C2O)NC(SC2CC(Nc3cc(C(O)=O)ccc3)=O)=NC2=O)cc1

InChI

InChI=1S/C24H21N5O8S/c1-37-14-7-5-11(6-8-14)18(17-20(32)27-23(36)28-21(17)33)26-24-29-19(31)15(38-24)10-16(30)25-13-4-2-3-12(9-13)22(34)35/h2-9,15,18H,10H2,1H3,(H,25,30)(H,34,35)(H,26,29,31)(H3,27,28,32,33,36)

InChI Key

AMVWKIPEFIFPSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14730678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.53

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

1.023

Distribution Coefficient, logD

-3.275

Water Solubility, LogSw

-2.31

Polar Surface Area

156.182

Acid Dissociation Constant (pKa)

3.10

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.70

C202-1935 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 C202-1935 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-1935?
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What is the minimum amount of C202-1935 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-1935
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-1935
  • 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 C202-1935 available by request