E683-0205 Screening compound: 5-bromo-N-(4-methyl-2-{[3-(trifluoromethyl)phenyl]amino}quinolin-6-yl)pyridine-3-carboxamide

E683-0205 Screening compound: 5-bromo-N-(4-methyl-2-{[3-(trifluoromethyl)phenyl]amino}quinolin-6-yl)pyridine-3-carboxamide
E683-0205 Screening compound: 5-bromo-N-(4-methyl-2-{[3-(trifluoromethyl)phenyl]amino}quinolin-6-yl)pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E683-0205
5-bromo-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

E683-0205

Molecular Formula

C23H16BrF3N4O (C23 H16 BrF3 N4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(cc(cc2)NC(c3cc(Br)cnc3)=O)c2nc(Nc2cc(C(F)(F)F)ccc2)c1

InChI

InChI=1S/C23H16BrF3N4O/c1-13-7-21(29-17-4-2-3-15(9-17)23(25,26)27)31-20-6-5-18(10-19(13)20)30-22(32)14-8-16(24)12-28-11-14/h2-12H,1H3,(H,29,31)(H,30,32)

InChI Key

GBVNJYYGQQJMPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14909789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.31

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

6.767

Distribution Coefficient, logD

6.738

Water Solubility, LogSw

-5.76

Polar Surface Area

50.747

Acid Dissociation Constant (pKa)

8.62

Base Dissociation Constant (pKb)

5.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

E683-0205 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E683-0205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E683-0205?
Check Price and Availability of E683-0205, 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 E683-0205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E683-0205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E683-0205
  • 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 E683-0205 available by request