C202-3188 Screening compound: 2-{4-[7-(4-methoxyphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-amido]phenyl}acetic acid

C202-3188 Screening compound: 2-{4-[7-(4-methoxyphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-amido]phenyl}acetic acid
C202-3188 Screening compound: 2-{4-[7-(4-methoxyphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-amido]phenyl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3188
2-{4-[7-(4-methoxyphenyl)-2,5-dioxo-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

C202-3188

Molecular Formula

C25H22N2O6 (C25 H22 N2 O6)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(C(C2)CC(NC(C(C(Nc3ccc(CC(O)=O)cc3)=O)=C3)=O)=C3C2=O)cc1

InChI

InChI=1S/C25H22N2O6/c1-33-18-8-4-15(5-9-18)16-11-21-19(22(28)12-16)13-20(25(32)27-21)24(31)26-17-6-2-14(3-7-17)10-23(29)30/h2-9,13,16H,10-12H2,1H3,(H,26,31)(H,27,32)(H,29,30)/t16-/m0/s1

InChI Key

WHDWCCGRNNTYCY-INIZCTEOSA-N

MDL Number (MFCD)

MFCD26963311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.710

Distribution Coefficient, logD

-1.074

Water Solubility, LogSw

-3.24

Polar Surface Area

97.082

Acid Dissociation Constant (pKa)

3.62

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

C202-3188 in Drug Discovery

Included in Screening Libraries

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

Arginase Targeted Library (2009 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
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases

References: we are preparing a list of scientific research reports with C202-3188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3188?
Check Price and Availability of C202-3188, 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 C202-3188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3188
  • 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 C202-3188 available by request