D332-0156 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-butyl-1H-1,3-benzodiazol-5-yl}-3-methylbutanamide

D332-0156 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-butyl-1H-1,3-benzodiazol-5-yl}-3-methylbutanamide
D332-0156 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-butyl-1H-1,3-benzodiazol-5-yl}-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D332-0156
N-{2-[(azepan-1-yl)methyl]-1-butyl-1H-1,3-benzodiazol-5-yl}-3-methylbutanamide

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

D332-0156

Molecular Formula

C23H36N4O (C23 H36 N4 O)

Compound Name

N-{2-[(azepan-1-yl)methyl]-1-butyl-1H-1,3-benzodiazol-5-yl}-3-methylbutanamide

IUPAC name

N-{2-[(azepan-1-yl)methyl]-1-butyl-1H-13-benzodiazol-5-yl}-3-methylbutanamide

SMILES

CCCCn1c(ccc(NC(CC(C)C)=O)c2)c2nc1CN1CCCCCC1

InChI

InChI=1S/C23H36N4O/c1-4-5-14-27-21-11-10-19(24-23(28)15-18(2)3)16-20(21)25-22(27)17-26-12-8-6-7-9-13-26/h10-11,16,18H,4-9,12-15,17H2,1-3H3,(H,24,28)

InChI Key

OPQSJRWOTCERPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14279798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.113

Distribution Coefficient, logD

4.545

Water Solubility, LogSw

-4.93

Polar Surface Area

38.606

Acid Dissociation Constant (pKa)

12.10

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.20

D332-0156 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D332-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D332-0156?
Check Price and Availability of D332-0156, 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 D332-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D332-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D332-0156
  • 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 D332-0156 available by request