D332-0002 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-ethyl-1H-1,3-benzodiazol-5-yl}propanamide

D332-0002 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-ethyl-1H-1,3-benzodiazol-5-yl}propanamide
D332-0002 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-ethyl-1H-1,3-benzodiazol-5-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D332-0002
N-{2-[(azepan-1-yl)methyl]-1-ethyl-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

D332-0002

Molecular Formula

C19H28N4O (C19 H28 N4 O)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C19H28N4O/c1-3-19(24)20-15-9-10-17-16(13-15)21-18(23(17)4-2)14-22-11-7-5-6-8-12-22/h9-10,13H,3-8,11-12,14H2,1-2H3,(H,20,24)

InChI Key

MBJNGUIGGSOPER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09222739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.46

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

3.318

Distribution Coefficient, logD

3.136

Water Solubility, LogSw

-3.47

Polar Surface Area

38.352

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

D332-0002 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 D332-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D332-0002?
Check Price and Availability of D332-0002, 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 D332-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D332-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D332-0002
  • 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 D332-0002 available by request