C202-3000 Screening compound: 1-[5-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2,5-dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile

C202-3000 Screening compound: 1-[5-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2,5-dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
C202-3000 Screening compound: 1-[5-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2,5-dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3000
1-[5-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2,5-dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile

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

C202-3000

Molecular Formula

C27H21N3O2S (C27 H21 N3 O2 S)

Compound Name

1-[5-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2,5-dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile

IUPAC name

1-[5-(34-dimethylphenyl)-13-thiazol-2-yl]-25-dioxo-7-phenyl-125678-hexahydroquinoline-3-carbonitrile

SMILES

Cc(cc1)c(C)cc1-c1cnc(N(C(CC(C2)c3ccccc3)=C(C=C3C#N)C2=O)C3=O)s1

InChI

InChI=1S/C27H21N3O2S/c1-16-8-9-19(10-17(16)2)25-15-29-27(33-25)30-23-12-20(18-6-4-3-5-7-18)13-24(31)22(23)11-21(14-28)26(30)32/h3-11,15,20H,12-13H2,1-2H3/t20-/m0/s1

InChI Key

POBSWBVGUOVTGD-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14731423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.717

Distribution Coefficient, logD

5.717

Water Solubility, LogSw

-5.35

Polar Surface Area

55.435

Acid Dissociation Constant (pKa)

18.82

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

C202-3000 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C202-3000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3000?
Check Price and Availability of C202-3000, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C202-3000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3000
  • 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 C202-3000 available by request