D332-0181 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-butyl-1H-1,3-benzodiazol-5-yl}-2-(4-chlorophenoxy)acetamide

D332-0181 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-butyl-1H-1,3-benzodiazol-5-yl}-2-(4-chlorophenoxy)acetamide
D332-0181 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-butyl-1H-1,3-benzodiazol-5-yl}-2-(4-chlorophenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D332-0181
N-{2-[(azepan-1-yl)methyl]-1-butyl-1H-1,3-benzodiazol-5-yl}-2-(4-chlorophenoxy)acetamide

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

D332-0181

Molecular Formula

C26H33ClN4O2 (C26 H33 ClN4 O2)

Compound Name

N-{2-[(azepan-1-yl)methyl]-1-butyl-1H-1,3-benzodiazol-5-yl}-2-(4-chlorophenoxy)acetamide

IUPAC name

N-{2-[(azepan-1-yl)methyl]-1-butyl-1H-13-benzodiazol-5-yl}-2-(4-chlorophenoxy)acetamide

SMILES

CCCCn1c(ccc(NC(COc(cc2)ccc2Cl)=O)c2)c2nc1CN1CCCCCC1

InChI

InChI=1S/C26H33ClN4O2/c1-2-3-16-31-24-13-10-21(28-26(32)19-33-22-11-8-20(27)9-12-22)17-23(24)29-25(31)18-30-14-6-4-5-7-15-30/h8-13,17H,2-7,14-16,18-19H2,1H3,(H,28,32)

InChI Key

OLRPSEJVCPRSES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14279815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.03

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.944

Distribution Coefficient, logD

5.376

Water Solubility, LogSw

-5.96

Polar Surface Area

45.834

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

D332-0181 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

MCL1 Targeted Library (12200 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D332-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D332-0181?
Check Price and Availability of D332-0181, 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 D332-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D332-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D332-0181
  • 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 D332-0181 available by request