D044-0088 Screening compound: N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-2-methylbenzamide

D044-0088 Screening compound: N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-2-methylbenzamide
D044-0088 Screening compound: N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-2-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D044-0088
N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-2-methylbenzamide

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

D044-0088

Molecular Formula

C23H27N5O2 (C23 H27 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(N1CCN(Cc2nc(cc(cc3)NC(c4c(C)cccc4)=O)c3n2C)CC1)=O

InChI

InChI=1S/C23H27N5O2/c1-16-6-4-5-7-19(16)23(30)24-18-8-9-21-20(14-18)25-22(26(21)3)15-27-10-12-28(13-11-27)17(2)29/h4-9,14H,10-13,15H2,1-3H3,(H,24,30)

InChI Key

JXCGGQKTUPKNAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06092774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

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

2.154

Distribution Coefficient, logD

2.105

Water Solubility, LogSw

-3.02

Polar Surface Area

56.244

Acid Dissociation Constant (pKa)

10.44

Base Dissociation Constant (pKb)

6.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

D044-0088 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with D044-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D044-0088?
Check Price and Availability of D044-0088, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D044-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D044-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D044-0088
  • 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 D044-0088 available by request