D332-0001 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-ethyl-1H-1,3-benzodiazol-5-yl}acetamide

D332-0001 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-ethyl-1H-1,3-benzodiazol-5-yl}acetamide
D332-0001 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-ethyl-1H-1,3-benzodiazol-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D332-0001
N-{2-[(azepan-1-yl)methyl]-1-ethyl-1H-1,3-benzodiazol-5-yl}acetamide

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

D332-0001

Molecular Formula

C18H26N4O (C18 H26 N4 O)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(ccc(NC(C)=O)c2)c2nc1CN1CCCCCC1

InChI

InChI=1S/C18H26N4O/c1-3-22-17-9-8-15(19-14(2)23)12-16(17)20-18(22)13-21-10-6-4-5-7-11-21/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,19,23)

InChI Key

IXHKOOWPDAWYDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09222738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.810

Distribution Coefficient, logD

2.629

Water Solubility, LogSw

-3.09

Polar Surface Area

38.465

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

D332-0001 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D332-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D332-0001?
Check Price and Availability of D332-0001, 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 D332-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D332-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D332-0001
  • 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 D332-0001 available by request