Y032-4402 Screening compound: N-{3-[(4-chlorobenzyl)amino]-3-oxopropyl}-3,5-dimethoxybenzamide

Y032-4402 Screening compound: N-{3-[(4-chlorobenzyl)amino]-3-oxopropyl}-3,5-dimethoxybenzamide
Y032-4402 Screening compound: N-{3-[(4-chlorobenzyl)amino]-3-oxopropyl}-3,5-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-4402
N-{3-[(4-chlorobenzyl)amino]-3-oxopropyl}-3,5-dimethoxybenzamide

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

Y032-4402

Molecular Formula

C19H21ClN2O4 (C19 H21 ClN2 O4)

Compound Name

N-{3-[(4-chlorobenzyl)amino]-3-oxopropyl}-3,5-dimethoxybenzamide

IUPAC name

N-[(4-chlorophenyl)methyl]-3-[(35-dimethoxyphenyl)formamido]propanamide

SMILES

COc1cc(C(NCCC(NCc(cc2)ccc2Cl)=O)=O)cc(OC)c1

InChI

InChI=1S/C19H21ClN2O4/c1-25-16-9-14(10-17(11-16)26-2)19(24)21-8-7-18(23)22-12-13-3-5-15(20)6-4-13/h3-6,9-11H,7-8,12H2,1-2H3,(H,21,24)(H,22,23)

InChI Key

PMCWVMBYWONFJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09431906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.640

Distribution Coefficient, logD

2.640

Water Solubility, LogSw

-3.51

Polar Surface Area

64.052

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

Y032-4402 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y032-4402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-4402?
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What is the minimum amount of Y032-4402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-4402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-4402
  • 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 Y032-4402 available by request