C202-3148 Screening compound: 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)-7,7-dimethyl-1,2,5,6,7,8-hexahydroquinoline-2,5-dione

C202-3148 Screening compound: 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)-7,7-dimethyl-1,2,5,6,7,8-hexahydroquinoline-2,5-dione
C202-3148 Screening compound: 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)-7,7-dimethyl-1,2,5,6,7,8-hexahydroquinoline-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3148
3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)-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

C202-3148

Molecular Formula

C26H20ClFN2O2S (C26 H20 ClFN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C1)CC(N(c2cc(F)ccc2)C(C(c2nc(-c(cc3)ccc3Cl)cs2)=C2)=O)=C2C1=O

InChI

InChI=1S/C26H20ClFN2O2S/c1-26(2)12-22-19(23(31)13-26)11-20(25(32)30(22)18-5-3-4-17(28)10-18)24-29-21(14-33-24)15-6-8-16(27)9-7-15/h3-11,14H,12-13H2,1-2H3

InChI Key

BGNURJIIXBUFOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14731515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.091

Distribution Coefficient, logD

6.091

Water Solubility, LogSw

-6.24

Polar Surface Area

38.042

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

-5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

C202-3148 in Drug Discovery

Included in Screening Libraries

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C202-3148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3148?
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What is the minimum amount of C202-3148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3148
  • 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 C202-3148 available by request