C202-2081 Screening compound: 2-(2-{[(3-chlorophenyl)(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(2-ethoxyphenyl)acetamide

C202-2081 Screening compound: 2-(2-{[(3-chlorophenyl)(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(2-ethoxyphenyl)acetamide
C202-2081 Screening compound: 2-(2-{[(3-chlorophenyl)(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(2-ethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-2081
2-(2-{[(3-chlorophenyl)(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(2-ethoxyphenyl)acetamide

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

C202-2081

Molecular Formula

C24H22ClN5O6S (C24 H22 ClN5 O6 S)

Compound Name

2-(2-{[(3-chlorophenyl)(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(2-ethoxyphenyl)acetamide

IUPAC name

2-(2-{[(3-chlorophenyl)(6-hydroxy-24-dioxo-1234-tetrahydropyrimidin-5-yl)methyl]amino}-4-oxo-45-dihydro-13-thiazol-5-yl)-N-(2-ethoxyphenyl)acetamide

SMILES

CCOc(cccc1)c1NC(CC1SC(NC(c2cccc(Cl)c2)C(C(NC(N2)=O)=O)=C2O)=NC1=O)=O

InChI

InChI=1S/C24H22ClN5O6S/c1-2-36-15-9-4-3-8-14(15)26-17(31)11-16-20(32)30-24(37-16)27-19(12-6-5-7-13(25)10-12)18-21(33)28-23(35)29-22(18)34/h3-10,16,19H,2,11H2,1H3,(H,26,31)(H,27,30,32)(H3,28,29,33,34,35)

InChI Key

NSFZIQKEWZAGSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14730763

Chemical and Physical Properties

Saltdata

CH3COOH

Molecular Weight

543.99

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.793

Distribution Coefficient, logD

-2.505

Water Solubility, LogSw

-2.74

Polar Surface Area

126.742

Acid Dissociation Constant (pKa)

3.10

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.80

C202-2081 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C202-2081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2081?
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What is the minimum amount of C202-2081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2081
  • 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 C202-2081 available by request