C202-2506 Screening compound: 2-{7,7-dimethyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,5-dioxo-1,2,5,6,7,8-hexahydroquinolin-1-yl}-N-(4-methylphenyl)acetamide

C202-2506 Screening compound: 2-{7,7-dimethyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,5-dioxo-1,2,5,6,7,8-hexahydroquinolin-1-yl}-N-(4-methylphenyl)acetamide
C202-2506 Screening compound: 2-{7,7-dimethyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,5-dioxo-1,2,5,6,7,8-hexahydroquinolin-1-yl}-N-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-2506
2-{7,7-dimethyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,5-dioxo-1,2,5,6,7,8-hexahydroquinolin-1-yl}-N-(4-methylphenyl)acetamide

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

C202-2506

Molecular Formula

C30H29N3O3S (C30 H29 N3 O3 S)

Compound Name

2-{7,7-dimethyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,5-dioxo-1,2,5,6,7,8-hexahydroquinolin-1-yl}-N-(4-methylphenyl)acetamide

IUPAC name

2-{77-dimethyl-3-[4-(4-methylphenyl)-13-thiazol-2-yl]-25-dioxo-125678-hexahydroquinolin-1-yl}-N-(4-methylphenyl)acetamide

SMILES

CC(C)(C1)CC(N(CC(Nc2ccc(C)cc2)=O)C(C(c2nc(-c3ccc(C)cc3)cs2)=C2)=O)=C2C1=O

InChI

InChI=1S/C30H29N3O3S/c1-18-5-9-20(10-6-18)24-17-37-28(32-24)23-13-22-25(14-30(3,4)15-26(22)34)33(29(23)36)16-27(35)31-21-11-7-19(2)8-12-21/h5-13,17H,14-16H2,1-4H3,(H,31,35)

InChI Key

STTWNQGTGOAMAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14731054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.082

Distribution Coefficient, logD

6.082

Water Solubility, LogSw

-5.44

Polar Surface Area

61.803

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

C202-2506 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C202-2506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2506?
Check Price and Availability of C202-2506, 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 C202-2506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2506
  • 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 C202-2506 available by request