D332-0119 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide

D332-0119 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide
D332-0119 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D332-0119
N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide

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

D332-0119

Molecular Formula

C24H36N4O (C24 H36 N4 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)n1c(ccc(NC(C2CCCCC2)=O)c2)c2nc1CN1CCCCCC1

InChI

InChI=1S/C24H36N4O/c1-18(2)28-22-13-12-20(25-24(29)19-10-6-5-7-11-19)16-21(22)26-23(28)17-27-14-8-3-4-9-15-27/h12-13,16,18-19H,3-11,14-15,17H2,1-2H3,(H,25,29)

InChI Key

WTONSBAJEDKHSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09222921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.58

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

4.794

Distribution Coefficient, logD

4.653

Water Solubility, LogSw

-4.43

Polar Surface Area

39.837

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

References: we are preparing a list of scientific research reports with D332-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D332-0119?
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What is the minimum amount of D332-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D332-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D332-0119
  • 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 D332-0119 available by request