5695-0937 Screening compound: 3-{[3-(ethoxycarbonyl)-8-(trifluoromethyl)quinolin-4-yl]amino}benzoic acid

5695-0937 Screening compound: 3-{[3-(ethoxycarbonyl)-8-(trifluoromethyl)quinolin-4-yl]amino}benzoic acid
5695-0937 Screening compound: 3-{[3-(ethoxycarbonyl)-8-(trifluoromethyl)quinolin-4-yl]amino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5695-0937
3-{[3-(ethoxycarbonyl)-8-(trifluoromethyl)quinolin-4-yl]amino}benzoic 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

5695-0937

Molecular Formula

C20H15F3N2O4 (C20 H15 F3 N2 O4)

Compound Name

3-{[3-(ethoxycarbonyl)-8-(trifluoromethyl)quinolin-4-yl]amino}benzoic acid

IUPAC name

3-{[3-(ethoxycarbonyl)-8-(trifluoromethyl)quinolin-4-yl]amino}benzoic acid

SMILES

CCOC(c1cnc(c(C(F)(F)F)ccc2)c2c1Nc1cc(C(O)=O)ccc1)=O

InChI

InChI=1S/C20H15F3N2O4/c1-2-29-19(28)14-10-24-17-13(7-4-8-15(17)20(21,22)23)16(14)25-12-6-3-5-11(9-12)18(26)27/h3-10H,2H2,1H3,(H,24,25)(H,26,27)

InChI Key

BKFIKQNQHXENBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03618647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.35

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

4.991

Distribution Coefficient, logD

1.696

Water Solubility, LogSw

-4.49

Polar Surface Area

66.540

Acid Dissociation Constant (pKa)

4.11

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

5695-0937 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5695-0937 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5695-0937?
Check Price and Availability of 5695-0937, 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 5695-0937 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5695-0937
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5695-0937
  • 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 5695-0937 available by request