C202-3144 Screening compound: 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,5-dimethoxyphenyl)-7,7-dimethyl-1,2,5,6,7,8-hexahydroquinoline-2,5-dione

C202-3144 Screening compound: 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,5-dimethoxyphenyl)-7,7-dimethyl-1,2,5,6,7,8-hexahydroquinoline-2,5-dione
C202-3144 Screening compound: 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,5-dimethoxyphenyl)-7,7-dimethyl-1,2,5,6,7,8-hexahydroquinoline-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3144
3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,5-dimethoxyphenyl)-7,7-dimethyl-1,2,5,6,7,8-hexahydroquinoline-2,5-dione

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

C202-3144

Molecular Formula

C28H25ClN2O4S (C28 H25 ClN2 O4 S)

Compound Name

3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,5-dimethoxyphenyl)-7,7-dimethyl-1,2,5,6,7,8-hexahydroquinoline-2,5-dione

IUPAC name

3-[4-(4-chlorophenyl)-13-thiazol-2-yl]-1-(25-dimethoxyphenyl)-77-dimethyl-125678-hexahydroquinoline-25-dione

SMILES

CC(C)(C1)CC(N(c(cc(cc2)OC)c2OC)C(C(c2nc(-c(cc3)ccc3Cl)cs2)=C2)=O)=C2C1=O

InChI

InChI=1S/C28H25ClN2O4S/c1-28(2)13-23-19(24(32)14-28)12-20(26-30-21(15-36-26)16-5-7-17(29)8-6-16)27(33)31(23)22-11-18(34-3)9-10-25(22)35-4/h5-12,15H,13-14H2,1-4H3

InChI Key

MFQHVSDQUZGZCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14731511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.04

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.208

Distribution Coefficient, logD

6.208

Water Solubility, LogSw

-6.27

Polar Surface Area

52.916

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C202-3144 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C202-3144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3144?
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What is the minimum amount of C202-3144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3144
  • 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 C202-3144 available by request