C202-1811 Screening compound: 2-{2-[3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-N-(4-ethoxyphenyl)acetamide

C202-1811 Screening compound: 2-{2-[3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-N-(4-ethoxyphenyl)acetamide
C202-1811 Screening compound: 2-{2-[3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-N-(4-ethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-1811
2-{2-[3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-N-(4-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

C202-1811

Molecular Formula

C28H25ClN4O3S (C28 H25 ClN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(CC1SC(N(C(C2)c3ccccc3)N=C2c(cc2)ccc2Cl)=NC1=O)=O

InChI

InChI=1S/C28H25ClN4O3S/c1-2-36-22-14-12-21(13-15-22)30-26(34)17-25-27(35)31-28(37-25)33-24(19-6-4-3-5-7-19)16-23(32-33)18-8-10-20(29)11-9-18/h3-15,24-25H,2,16-17H2,1H3,(H,30,34)

InChI Key

HEPKBOKQFUFVDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14730607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.05

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.978

Distribution Coefficient, logD

5.978

Water Solubility, LogSw

-6.21

Polar Surface Area

66.096

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

1.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with C202-1811 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C202-1811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-1811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-1811
  • 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 C202-1811 available by request