D042-0464 Screening compound: N-butyl-3-chloro-N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]benzamide

D042-0464 Screening compound: N-butyl-3-chloro-N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]benzamide
D042-0464 Screening compound: N-butyl-3-chloro-N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D042-0464
N-butyl-3-chloro-N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]benzamide

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

D042-0464

Molecular Formula

C22H23ClN2O3 (C22 H23 ClN2 O3)

Compound Name

N-butyl-3-chloro-N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]benzamide

IUPAC name

N-butyl-3-chloro-N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]benzamide

SMILES

CCCCN(Cc1cc2cc(OC)ccc2nc1O)C(c1cccc(Cl)c1)=O

InChI

InChI=1S/C22H23ClN2O3/c1-3-4-10-25(22(27)15-6-5-7-18(23)12-15)14-17-11-16-13-19(28-2)8-9-20(16)24-21(17)26/h5-9,11-13H,3-4,10,14H2,1-2H3,(H,24,26)

InChI Key

UGMDXJYUYSWJRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06002700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.831

Distribution Coefficient, logD

4.818

Water Solubility, LogSw

-4.65

Polar Surface Area

49.263

Acid Dissociation Constant (pKa)

8.90

Base Dissociation Constant (pKb)

0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

D042-0464 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D042-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D042-0464?
Check Price and Availability of D042-0464, 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 D042-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D042-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D042-0464
  • 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 D042-0464 available by request