D044-0097 Screening compound: N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-2-phenoxyacetamide

D044-0097 Screening compound: N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-2-phenoxyacetamide
D044-0097 Screening compound: N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D044-0097
N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-2-phenoxyacetamide

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

D044-0097

Molecular Formula

C23H27N5O3 (C23 H27 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(N1CCN(Cc2nc(cc(cc3)NC(COc4ccccc4)=O)c3n2C)CC1)=O

InChI

InChI=1S/C23H27N5O3/c1-17(29)28-12-10-27(11-13-28)15-22-25-20-14-18(8-9-21(20)26(22)2)24-23(30)16-31-19-6-4-3-5-7-19/h3-9,14H,10-13,15-16H2,1-2H3,(H,24,30)

InChI Key

FBIAJPWHEJNIPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06092785

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.940

Distribution Coefficient, logD

1.346

Water Solubility, LogSw

-2.73

Polar Surface Area

63.530

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

7.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

D044-0097 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 D044-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D044-0097?
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What is the minimum amount of D044-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D044-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D044-0097
  • 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 D044-0097 available by request