D042-0347 Screening compound: 3-chloro-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-N-(propan-2-yl)benzamide

D042-0347 Screening compound: 3-chloro-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-N-(propan-2-yl)benzamide
D042-0347 Screening compound: 3-chloro-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-N-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D042-0347
3-chloro-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-N-(propan-2-yl)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

D042-0347

Molecular Formula

C21H21ClN2O2 (C21 H21 ClN2 O2)

Compound Name

3-chloro-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-N-(propan-2-yl)benzamide

IUPAC name

3-chloro-N-[(2-hydroxy-7-methylquinolin-3-yl)methyl]-N-(propan-2-yl)benzamide

SMILES

CC(C)N(Cc1cc2ccc(C)cc2nc1O)C(c1cccc(Cl)c1)=O

InChI

InChI=1S/C21H21ClN2O2/c1-13(2)24(21(26)16-5-4-6-18(22)11-16)12-17-10-15-8-7-14(3)9-19(15)23-20(17)25/h4-11,13H,12H2,1-3H3,(H,23,25)

InChI Key

NRAFFVGGUMGJOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06003413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.869

Distribution Coefficient, logD

4.860

Water Solubility, LogSw

-4.71

Polar Surface Area

41.484

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D042-0347 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D042-0347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D042-0347?
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What is the minimum amount of D042-0347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D042-0347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D042-0347
  • 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 D042-0347 available by request