C202-2655 Screening compound: N-[4-(4-benzylphenyl)-5-ethyl-1,3-thiazol-2-yl]-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

C202-2655 Screening compound: N-[4-(4-benzylphenyl)-5-ethyl-1,3-thiazol-2-yl]-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
C202-2655 Screening compound: N-[4-(4-benzylphenyl)-5-ethyl-1,3-thiazol-2-yl]-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-2655
N-[4-(4-benzylphenyl)-5-ethyl-1,3-thiazol-2-yl]-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

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

C202-2655

Molecular Formula

C28H25N3O3S (C28 H25 N3 O3 S)

Compound Name

N-[4-(4-benzylphenyl)-5-ethyl-1,3-thiazol-2-yl]-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

N-[4-(4-benzylphenyl)-5-ethyl-13-thiazol-2-yl]-25-dioxo-125678-hexahydroquinoline-3-carboxamide

SMILES

CCc1c(-c2ccc(Cc3ccccc3)cc2)nc(NC(C2=CC(C(CCC3)=O)=C3NC2=O)=O)s1

InChI

InChI=1S/C28H25N3O3S/c1-2-24-25(19-13-11-18(12-14-19)15-17-7-4-3-5-8-17)30-28(35-24)31-27(34)21-16-20-22(29-26(21)33)9-6-10-23(20)32/h3-5,7-8,11-14,16H,2,6,9-10,15H2,1H3,(H,29,33)(H,30,31,34)

InChI Key

YNYUZRAZMYPHBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14731162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.343

Distribution Coefficient, logD

2.032

Water Solubility, LogSw

-5.29

Polar Surface Area

71.700

Acid Dissociation Constant (pKa)

4.09

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C202-2655 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C202-2655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2655?
Check Price and Availability of C202-2655, 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 C202-2655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2655
  • 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 C202-2655 available by request