D332-0079 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-propyl-1H-1,3-benzodiazol-5-yl}butanamide

D332-0079 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-propyl-1H-1,3-benzodiazol-5-yl}butanamide
D332-0079 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-propyl-1H-1,3-benzodiazol-5-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D332-0079
N-{2-[(azepan-1-yl)methyl]-1-propyl-1H-1,3-benzodiazol-5-yl}butanamide

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

D332-0079

Molecular Formula

C21H32N4O (C21 H32 N4 O)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H32N4O/c1-3-9-21(26)22-17-10-11-19-18(15-17)23-20(25(19)12-4-2)16-24-13-7-5-6-8-14-24/h10-11,15H,3-9,12-14,16H2,1-2H3,(H,22,26)

InChI Key

JJSAZIHMZQWSEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09222815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.252

Distribution Coefficient, logD

3.684

Water Solubility, LogSw

-4.07

Polar Surface Area

38.606

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

D332-0079 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D332-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D332-0079?
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What is the minimum amount of D332-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D332-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D332-0079
  • 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 D332-0079 available by request