D332-0069 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-2-(4-chlorophenoxy)acetamide

D332-0069 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-2-(4-chlorophenoxy)acetamide
D332-0069 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-2-(4-chlorophenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D332-0069
N-{2-[(azepan-1-yl)methyl]-1-methyl-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

D332-0069

Molecular Formula

C23H27ClN4O2 (C23 H27 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(ccc(NC(COc(cc2)ccc2Cl)=O)c2)c2nc1CN1CCCCCC1

InChI

InChI=1S/C23H27ClN4O2/c1-27-21-11-8-18(25-23(29)16-30-19-9-6-17(24)7-10-19)14-20(21)26-22(27)15-28-12-4-2-3-5-13-28/h6-11,14H,2-5,12-13,15-16H2,1H3,(H,25,29)

InChI Key

QYOUIXGTWDCULU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09222805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.429

Distribution Coefficient, logD

4.159

Water Solubility, LogSw

-4.46

Polar Surface Area

46.665

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

7.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

D332-0069 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with D332-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D332-0069?
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What is the minimum amount of D332-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D332-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D332-0069
  • 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 D332-0069 available by request