C202-3191 Screening compound: 2-[4-(2,5-dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-amido)phenyl]acetic acid

C202-3191 Screening compound: 2-[4-(2,5-dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-amido)phenyl]acetic acid
C202-3191 Screening compound: 2-[4-(2,5-dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-amido)phenyl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3191
2-[4-(2,5-dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-amido)phenyl]acetic acid

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

C202-3191

Molecular Formula

C24H20N2O5 (C24 H20 N2 O5)

Compound Name

2-[4-(2,5-dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-amido)phenyl]acetic acid

IUPAC name

2-[4-(25-dioxo-7-phenyl-125678-hexahydroquinoline-3-amido)phenyl]acetic acid

SMILES

OC(Cc(cc1)ccc1NC(C1=CC(C(CC(C2)c3ccccc3)=O)=C2NC1=O)=O)=O

InChI

InChI=1S/C24H20N2O5/c27-21-12-16(15-4-2-1-3-5-15)11-20-18(21)13-19(24(31)26-20)23(30)25-17-8-6-14(7-9-17)10-22(28)29/h1-9,13,16H,10-12H2,(H,25,30)(H,26,31)(H,28,29)/t16-/m0/s1

InChI Key

BRJHQVOQDFMSSH-INIZCTEOSA-N

MDL Number (MFCD)

MFCD22390285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.732

Distribution Coefficient, logD

-1.052

Water Solubility, LogSw

-3.28

Polar Surface Area

89.538

Acid Dissociation Constant (pKa)

3.62

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

C202-3191 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C202-3191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3191?
Check Price and Availability of C202-3191, 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 C202-3191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3191
  • 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 C202-3191 available by request