D332-0037 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-ethyl-1H-1,3-benzodiazol-5-yl}-2-(4-chloro-3-methylphenoxy)acetamide

D332-0037 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-ethyl-1H-1,3-benzodiazol-5-yl}-2-(4-chloro-3-methylphenoxy)acetamide
D332-0037 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-ethyl-1H-1,3-benzodiazol-5-yl}-2-(4-chloro-3-methylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D332-0037
N-{2-[(azepan-1-yl)methyl]-1-ethyl-1H-1,3-benzodiazol-5-yl}-2-(4-chloro-3-methylphenoxy)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

D332-0037

Molecular Formula

C25H31ClN4O2 (C25 H31 ClN4 O2)

Compound Name

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

IUPAC name

N-{2-[(azepan-1-yl)methyl]-1-ethyl-1H-13-benzodiazol-5-yl}-2-(4-chloro-3-methylphenoxy)acetamide

SMILES

CCn1c(ccc(NC(COc(cc2)cc(C)c2Cl)=O)c2)c2nc1CN1CCCCCC1

InChI

InChI=1S/C25H31ClN4O2/c1-3-30-23-11-8-19(27-25(31)17-32-20-9-10-21(26)18(2)14-20)15-22(23)28-24(30)16-29-12-6-4-5-7-13-29/h8-11,14-15H,3-7,12-13,16-17H2,1-2H3,(H,27,31)

InChI Key

OJMADDDPGLIVDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09222773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.753

Distribution Coefficient, logD

5.572

Water Solubility, LogSw

-5.85

Polar Surface Area

45.580

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

D332-0037 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D332-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D332-0037?
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What is the minimum amount of D332-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D332-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D332-0037
  • 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 D332-0037 available by request