C202-3223 Screening compound: 1-(3,5-dimethylphenyl)-7-(4-methoxyphenyl)-3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-1,2,5,6,7,8-hexahydroquinoline-2,5-dione

C202-3223 Screening compound: 1-(3,5-dimethylphenyl)-7-(4-methoxyphenyl)-3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-1,2,5,6,7,8-hexahydroquinoline-2,5-dione
C202-3223 Screening compound: 1-(3,5-dimethylphenyl)-7-(4-methoxyphenyl)-3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-1,2,5,6,7,8-hexahydroquinoline-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3223
1-(3,5-dimethylphenyl)-7-(4-methoxyphenyl)-3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-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

C202-3223

Molecular Formula

C33H27N3O5S (C33 H27 N3 O5 S)

Compound Name

1-(3,5-dimethylphenyl)-7-(4-methoxyphenyl)-3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-1,2,5,6,7,8-hexahydroquinoline-2,5-dione

IUPAC name

1-(35-dimethylphenyl)-7-(4-methoxyphenyl)-3-[4-(3-nitrophenyl)-13-thiazol-2-yl]-125678-hexahydroquinoline-25-dione

SMILES

Cc1cc(N(C(CC(C2)c(cc3)ccc3OC)=C(C=C3c4nc(-c5cc([N+]([O-])=O)ccc5)cs4)C2=O)C3=O)cc(C)c1

InChI

InChI=1S/C33H27N3O5S/c1-19-11-20(2)13-25(12-19)35-30-15-23(21-7-9-26(41-3)10-8-21)16-31(37)27(30)17-28(33(35)38)32-34-29(18-42-32)22-5-4-6-24(14-22)36(39)40/h4-14,17-18,23H,15-16H2,1-3H3/t23-/m0/s1

InChI Key

PTYZXZBUTMHTQD-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14731546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

577.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.368

Distribution Coefficient, logD

7.368

Water Solubility, LogSw

-5.69

Polar Surface Area

78.696

Acid Dissociation Constant (pKa)

18.82

Base Dissociation Constant (pKb)

-5.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

C202-3223 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C202-3223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3223?
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What is the minimum amount of C202-3223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3223
  • 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 C202-3223 available by request