5695-0972 Screening compound: ethyl 4-[(4-acetamidophenyl)amino]-8-(trifluoromethyl)quinoline-3-carboxylate

5695-0972 Screening compound: ethyl 4-[(4-acetamidophenyl)amino]-8-(trifluoromethyl)quinoline-3-carboxylate
5695-0972 Screening compound: ethyl 4-[(4-acetamidophenyl)amino]-8-(trifluoromethyl)quinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5695-0972
ethyl 4-[(4-acetamidophenyl)amino]-8-(trifluoromethyl)quinoline-3-carboxylate

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

5695-0972

Molecular Formula

C21H18F3N3O3 (C21 H18 F3 N3 O3)

Compound Name

ethyl 4-[(4-acetamidophenyl)amino]-8-(trifluoromethyl)quinoline-3-carboxylate

IUPAC name

ethyl 4-[(4-acetamidophenyl)amino]-8-(trifluoromethyl)quinoline-3-carboxylate

SMILES

CCOC(c1cnc(c(C(F)(F)F)ccc2)c2c1Nc(cc1)ccc1NC(C)=O)=O

InChI

InChI=1S/C21H18F3N3O3/c1-3-30-20(29)16-11-25-19-15(5-4-6-17(19)21(22,23)24)18(16)27-14-9-7-13(8-10-14)26-12(2)28/h4-11H,3H2,1-2H3,(H,25,27)(H,26,28)

InChI Key

QUGSULWLISKZJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03785823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.068

Distribution Coefficient, logD

4.068

Water Solubility, LogSw

-4.06

Polar Surface Area

61.394

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 5695-0972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5695-0972?
Check Price and Availability of 5695-0972, 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 5695-0972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5695-0972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5695-0972
  • 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 5695-0972 available by request