D044-0086 Screening compound: N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-2-chlorobenzamide

D044-0086 Screening compound: N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-2-chlorobenzamide
D044-0086 Screening compound: N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-2-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D044-0086
N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-2-chlorobenzamide

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

D044-0086

Molecular Formula

C22H24ClN5O2 (C22 H24 ClN5 O2)

Compound Name

N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-2-chlorobenzamide

IUPAC name

N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-1H-13-benzodiazol-5-yl}-2-chlorobenzamide

SMILES

CC(N1CCN(Cc2nc(cc(cc3)NC(c(cccc4)c4Cl)=O)c3n2C)CC1)=O

InChI

InChI=1S/C22H24ClN5O2/c1-15(29)28-11-9-27(10-12-28)14-21-25-19-13-16(7-8-20(19)26(21)2)24-22(30)17-5-3-4-6-18(17)23/h3-8,13H,9-12,14H2,1-2H3,(H,24,30)

InChI Key

ODEHJBFLLYBHNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05856770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.390

Distribution Coefficient, logD

2.340

Water Solubility, LogSw

-3.55

Polar Surface Area

56.244

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

6.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D044-0086 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with D044-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D044-0086?
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What is the minimum amount of D044-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D044-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D044-0086
  • 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 D044-0086 available by request