D332-0114 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}propanamide

D332-0114 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}propanamide
D332-0114 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D332-0114
N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}propanamide

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

D332-0114

Molecular Formula

C20H30N4O (C20 H30 N4 O)

Compound Name

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

IUPAC name

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

SMILES

CCC(Nc(cc1)cc2c1n(C(C)C)c(CN1CCCCCC1)n2)=O

InChI

InChI=1S/C20H30N4O/c1-4-20(25)21-16-9-10-18-17(13-16)22-19(24(18)15(2)3)14-23-11-7-5-6-8-12-23/h9-10,13,15H,4-8,11-12,14H2,1-3H3,(H,21,25)

InChI Key

XBNPTRFHSVMHLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09222916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.48

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

3.569

Distribution Coefficient, logD

3.427

Water Solubility, LogSw

-3.60

Polar Surface Area

39.703

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

D332-0114 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D332-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D332-0114?
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What is the minimum amount of D332-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D332-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D332-0114
  • 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 D332-0114 available by request