D044-0081 Screening compound: N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}butanamide

D044-0081 Screening compound: N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}butanamide
D044-0081 Screening compound: N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D044-0081
N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}butanamide

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

D044-0081

Molecular Formula

C19H27N5O2 (C19 H27 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCC(Nc(cc1)cc2c1n(C)c(CN(CC1)CCN1C(C)=O)n2)=O

InChI

InChI=1S/C19H27N5O2/c1-4-5-19(26)20-15-6-7-17-16(12-15)21-18(22(17)3)13-23-8-10-24(11-9-23)14(2)25/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,20,26)

InChI Key

DLTRWLJWHGKXBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06092770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.290

Distribution Coefficient, logD

0.696

Water Solubility, LogSw

-2.26

Polar Surface Area

56.302

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

7.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

D044-0081 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with D044-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D044-0081?
Check Price and Availability of D044-0081, 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 D044-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D044-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D044-0081
  • 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 D044-0081 available by request