D332-0068 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-2-(2-methoxyphenoxy)acetamide

D332-0068 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-2-(2-methoxyphenoxy)acetamide
D332-0068 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-2-(2-methoxyphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D332-0068
N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-2-(2-methoxyphenoxy)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

D332-0068

Molecular Formula

C24H30N4O3 (C24 H30 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(ccc(NC(COc(cccc2)c2OC)=O)c2)c2nc1CN1CCCCCC1

InChI

InChI=1S/C24H30N4O3/c1-27-20-12-11-18(25-24(29)17-31-22-10-6-5-9-21(22)30-2)15-19(20)26-23(27)16-28-13-7-3-4-8-14-28/h5-6,9-12,15H,3-4,7-8,13-14,16-17H2,1-2H3,(H,25,29)

InChI Key

RACMXYYHHDISOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09222804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.581

Distribution Coefficient, logD

3.312

Water Solubility, LogSw

-3.75

Polar Surface Area

54.382

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

7.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

D332-0068 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 D332-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D332-0068?
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What is the minimum amount of D332-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D332-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D332-0068
  • 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 D332-0068 available by request