D332-0125 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}-2-chlorobenzamide

D332-0125 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}-2-chlorobenzamide
D332-0125 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}-2-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D332-0125
N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}-2-chlorobenzamide

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

D332-0125

Molecular Formula

C24H29ClN4O (C24 H29 ClN4 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)n1c(ccc(NC(c(cccc2)c2Cl)=O)c2)c2nc1CN1CCCCCC1

InChI

InChI=1S/C24H29ClN4O/c1-17(2)29-22-12-11-18(26-24(30)19-9-5-6-10-20(19)25)15-21(22)27-23(29)16-28-13-7-3-4-8-14-28/h5-6,9-12,15,17H,3-4,7-8,13-14,16H2,1-2H3,(H,26,30)

InChI Key

JHGCSPPYQCSQJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09222926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.97

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.146

Distribution Coefficient, logD

5.003

Water Solubility, LogSw

-5.30

Polar Surface Area

39.645

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

D332-0125 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D332-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D332-0125?
Check Price and Availability of D332-0125, 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 D332-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D332-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D332-0125
  • 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 D332-0125 available by request