C202-1990 Screening compound: N-(4-ethoxyphenyl)-2-{2-[5-(2-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamide

C202-1990 Screening compound: N-(4-ethoxyphenyl)-2-{2-[5-(2-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamide
C202-1990 Screening compound: N-(4-ethoxyphenyl)-2-{2-[5-(2-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-1990
N-(4-ethoxyphenyl)-2-{2-[5-(2-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}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

C202-1990

Molecular Formula

C29H27FN4O4S (C29 H27 FN4 O4 S)

Compound Name

N-(4-ethoxyphenyl)-2-{2-[5-(2-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamide

IUPAC name

N-(4-ethoxyphenyl)-2-{2-[5-(2-fluorophenyl)-3-(4-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-4-oxo-45-dihydro-13-thiazol-5-yl}acetamide

SMILES

CCOc(cc1)ccc1NC(CC1SC(N(C(C2)c(cccc3)c3F)N=C2c(cc2)ccc2OC)=NC1=O)=O

InChI

InChI=1S/C29H27FN4O4S/c1-3-38-21-14-10-19(11-15-21)31-27(35)17-26-28(36)32-29(39-26)34-25(22-6-4-5-7-23(22)30)16-24(33-34)18-8-12-20(37-2)13-9-18/h4-15,25-26H,3,16-17H2,1-2H3,(H,31,35)

InChI Key

DPYSVRWDOJSSRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14730717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.527

Distribution Coefficient, logD

5.527

Water Solubility, LogSw

-5.46

Polar Surface Area

73.640

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

1.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.10

C202-1990 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 C202-1990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-1990?
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What is the minimum amount of C202-1990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-1990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-1990
  • 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 C202-1990 available by request