D044-0090 Screening compound: N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-3-bromobenzamide

D044-0090 Screening compound: N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-3-bromobenzamide
D044-0090 Screening compound: N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-3-bromobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D044-0090
N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-3-bromobenzamide

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

D044-0090

Molecular Formula

C22H24BrN5O2 (C22 H24 BrN5 O2)

Compound Name

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

IUPAC name

N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-1H-13-benzodiazol-5-yl}-3-bromobenzamide

SMILES

CC(N1CCN(Cc2nc(cc(cc3)NC(c4cccc(Br)c4)=O)c3n2C)CC1)=O

InChI

InChI=1S/C22H24BrN5O2/c1-15(29)28-10-8-27(9-11-28)14-21-25-19-13-18(6-7-20(19)26(21)2)24-22(30)16-4-3-5-17(23)12-16/h3-7,12-13H,8-11,14H2,1-2H3,(H,24,30)

InChI Key

HLYABXCBGBTTLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06092778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.37

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

2.783

Distribution Coefficient, logD

2.734

Water Solubility, LogSw

-3.28

Polar Surface Area

56.244

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

6.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D044-0090 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 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 D044-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D044-0090?
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What is the minimum amount of D044-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D044-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D044-0090
  • 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 D044-0090 available by request