C202-1813 Screening compound: 2-{2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-N-(4-ethoxyphenyl)acetamide

C202-1813 Screening compound: 2-{2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-N-(4-ethoxyphenyl)acetamide
C202-1813 Screening compound: 2-{2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-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 C202-1813
2-{2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-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

C202-1813

Molecular Formula

C29H27ClN4O3S (C29 H27 ClN4 O3 S)

Compound Name

2-{2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-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-(4-methylphenyl)-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)c3ccc(C)cc3)N=C2c(cc2)ccc2Cl)=NC1=O)=O

InChI

InChI=1S/C29H27ClN4O3S/c1-3-37-23-14-12-22(13-15-23)31-27(35)17-26-28(36)32-29(38-26)34-25(20-6-4-18(2)5-7-20)16-24(33-34)19-8-10-21(30)11-9-19/h4-15,25-26H,3,16-17H2,1-2H3,(H,31,35)

InChI Key

CMUFZOYIKSPTBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14730609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.08

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

6.397

Distribution Coefficient, logD

6.397

Water Solubility, LogSw

-6.48

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

24.10

References: we are preparing a list of scientific research reports with C202-1813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-1813?
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What is the minimum amount of C202-1813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-1813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-1813
  • 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 C202-1813 available by request