D332-0096 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-propyl-1H-1,3-benzodiazol-5-yl}-3,4,5-trimethoxybenzamide

D332-0096 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-propyl-1H-1,3-benzodiazol-5-yl}-3,4,5-trimethoxybenzamide
D332-0096 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-propyl-1H-1,3-benzodiazol-5-yl}-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D332-0096
N-{2-[(azepan-1-yl)methyl]-1-propyl-1H-1,3-benzodiazol-5-yl}-3,4,5-trimethoxybenzamide

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

D332-0096

Molecular Formula

C27H36N4O4 (C27 H36 N4 O4)

Compound Name

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

IUPAC name

N-{2-[(azepan-1-yl)methyl]-1-propyl-1H-13-benzodiazol-5-yl}-345-trimethoxybenzamide

SMILES

CCCn1c(ccc(NC(c(cc2OC)cc(OC)c2OC)=O)c2)c2nc1CN1CCCCCC1

InChI

InChI=1S/C27H36N4O4/c1-5-12-31-22-11-10-20(17-21(22)29-25(31)18-30-13-8-6-7-9-14-30)28-27(32)19-15-23(33-2)26(35-4)24(16-19)34-3/h10-11,15-17H,5-9,12-14,18H2,1-4H3,(H,28,32)

InChI Key

IOAAGMODFQBWHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09222831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.678

Distribution Coefficient, logD

4.110

Water Solubility, LogSw

-4.33

Polar Surface Area

61.526

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

D332-0096 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system

References: we are preparing a list of scientific research reports with D332-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D332-0096?
Check Price and Availability of D332-0096, 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 D332-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D332-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D332-0096
  • 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 D332-0096 available by request