E683-0128 Screening compound: 2-chloro-N-(4-methyl-2-{[3-(trifluoromethyl)phenyl]amino}quinolin-6-yl)pyridine-3-carboxamide

E683-0128 Screening compound: 2-chloro-N-(4-methyl-2-{[3-(trifluoromethyl)phenyl]amino}quinolin-6-yl)pyridine-3-carboxamide
E683-0128 Screening compound: 2-chloro-N-(4-methyl-2-{[3-(trifluoromethyl)phenyl]amino}quinolin-6-yl)pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E683-0128
2-chloro-N-(4-methyl-2-{[3-(trifluoromethyl)phenyl]amino}quinolin-6-yl)pyridine-3-carboxamide

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

E683-0128

Molecular Formula

C23H16ClF3N4O (C23 H16 ClF3 N4 O)

Compound Name

2-chloro-N-(4-methyl-2-{[3-(trifluoromethyl)phenyl]amino}quinolin-6-yl)pyridine-3-carboxamide

IUPAC name

2-chloro-N-(4-methyl-2-{[3-(trifluoromethyl)phenyl]amino}quinolin-6-yl)pyridine-3-carboxamide

SMILES

Cc1c(cc(cc2)NC(c3cccnc3Cl)=O)c2nc(Nc2cc(C(F)(F)F)ccc2)c1

InChI

InChI=1S/C23H16ClF3N4O/c1-13-10-20(29-15-5-2-4-14(11-15)23(25,26)27)31-19-8-7-16(12-18(13)19)30-22(32)17-6-3-9-28-21(17)24/h2-12H,1H3,(H,29,31)(H,30,32)

InChI Key

AQWQPGZICKUFEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14909743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.261

Distribution Coefficient, logD

6.230

Water Solubility, LogSw

-6.27

Polar Surface Area

50.825

Acid Dissociation Constant (pKa)

8.58

Base Dissociation Constant (pKb)

5.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

E683-0128 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E683-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E683-0128?
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What is the minimum amount of E683-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E683-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E683-0128
  • 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 E683-0128 available by request