D332-0160 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-butyl-1H-1,3-benzodiazol-5-yl}-3-methylbenzamide

D332-0160 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-butyl-1H-1,3-benzodiazol-5-yl}-3-methylbenzamide
D332-0160 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-butyl-1H-1,3-benzodiazol-5-yl}-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D332-0160
N-{2-[(azepan-1-yl)methyl]-1-butyl-1H-1,3-benzodiazol-5-yl}-3-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

D332-0160

Molecular Formula

C26H34N4O (C26 H34 N4 O)

Compound Name

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

IUPAC name

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

SMILES

CCCCn1c(ccc(NC(c2cc(C)ccc2)=O)c2)c2nc1CN1CCCCCC1

InChI

InChI=1S/C26H34N4O/c1-3-4-16-30-24-13-12-22(27-26(31)21-11-9-10-20(2)17-21)18-23(24)28-25(30)19-29-14-7-5-6-8-15-29/h9-13,17-18H,3-8,14-16,19H2,1-2H3,(H,27,31)

InChI Key

KLQPWONEPSYMQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14279802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.686

Distribution Coefficient, logD

5.118

Water Solubility, LogSw

-5.29

Polar Surface Area

38.548

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

D332-0160 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D332-0160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D332-0160?
Check Price and Availability of D332-0160, 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 D332-0160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D332-0160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D332-0160
  • 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 D332-0160 available by request