C202-1950 Screening compound: 3-[2-(2-{[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-hydroxyphenyl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamido]benzoic acid

C202-1950 Screening compound: 3-[2-(2-{[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-hydroxyphenyl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamido]benzoic acid
C202-1950 Screening compound: 3-[2-(2-{[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-hydroxyphenyl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-1950
3-[2-(2-{[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-hydroxyphenyl)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

C202-1950

Molecular Formula

C23H19N5O8S (C23 H19 N5 O8 S)

Compound Name

3-[2-(2-{[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-hydroxyphenyl)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-hydroxyphenyl)methyl]amino}-4-oxo-45-dihydro-13-thiazol-5-yl)acetamido]benzoic acid

SMILES

OC(c1cccc(NC(CC2SC(NC(c(cc3)ccc3O)C(C(NC(N3)=O)=O)=C3O)=NC2=O)=O)c1)=O

InChI

InChI=1S/C23H19N5O8S/c29-13-6-4-10(5-7-13)17(16-19(32)26-22(36)27-20(16)33)25-23-28-18(31)14(37-23)9-15(30)24-12-3-1-2-11(8-12)21(34)35/h1-8,14,17,29H,9H2,(H,24,30)(H,34,35)(H,25,28,31)(H3,26,27,32,33,36)

InChI Key

REBVPQQONDEBJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14730688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.5

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

7.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

0.421

Distribution Coefficient, logD

-3.877

Water Solubility, LogSw

-2.18

Polar Surface Area

166.255

Acid Dissociation Constant (pKa)

3.10

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

13.00

C202-1950 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 C202-1950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-1950?
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What is the minimum amount of C202-1950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-1950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-1950
  • 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 C202-1950 available by request