D332-0095 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-propyl-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzamide

D332-0095 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-propyl-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzamide
D332-0095 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-propyl-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D332-0095
N-{2-[(azepan-1-yl)methyl]-1-propyl-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzamide

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

D332-0095

Molecular Formula

C26H34N4O3 (C26 H34 N4 O3)

Compound Name

N-{2-[(azepan-1-yl)methyl]-1-propyl-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzamide

IUPAC name

N-{2-[(azepan-1-yl)methyl]-1-propyl-1H-13-benzodiazol-5-yl}-34-dimethoxybenzamide

SMILES

CCCn1c(ccc(NC(c(cc2)cc(OC)c2OC)=O)c2)c2nc1CN1CCCCCC1

InChI

InChI=1S/C26H34N4O3/c1-4-13-30-22-11-10-20(27-26(31)19-9-12-23(32-2)24(16-19)33-3)17-21(22)28-25(30)18-29-14-7-5-6-8-15-29/h9-12,16-17H,4-8,13-15,18H2,1-3H3,(H,27,31)

InChI Key

YVGUQIBRXYVIJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09222830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.521

Distribution Coefficient, logD

3.953

Water Solubility, LogSw

-4.21

Polar Surface Area

53.809

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

D332-0095 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with D332-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D332-0095?
Check Price and Availability of D332-0095, 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 D332-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D332-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D332-0095
  • 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 D332-0095 available by request