D685-0076 Screening compound: N-[5-(1H-1,3-benzodiazol-2-yl)-2-methylphenyl]-3,4-dimethoxybenzamide

D685-0076 Screening compound: N-[5-(1H-1,3-benzodiazol-2-yl)-2-methylphenyl]-3,4-dimethoxybenzamide
D685-0076 Screening compound: N-[5-(1H-1,3-benzodiazol-2-yl)-2-methylphenyl]-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D685-0076
N-[5-(1H-1,3-benzodiazol-2-yl)-2-methylphenyl]-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

D685-0076

Molecular Formula

C23H21N3O3 (C23 H21 N3 O3)

Compound Name

N-[5-(1H-1,3-benzodiazol-2-yl)-2-methylphenyl]-3,4-dimethoxybenzamide

IUPAC name

N-[5-(1H-13-benzodiazol-2-yl)-2-methylphenyl]-34-dimethoxybenzamide

SMILES

Cc(ccc(-c1nc(cccc2)c2[nH]1)c1)c1NC(c(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C23H21N3O3/c1-14-8-9-15(22-24-17-6-4-5-7-18(17)25-22)12-19(14)26-23(27)16-10-11-20(28-2)21(13-16)29-3/h4-13H,1-3H3,(H,24,25)(H,26,27)

InChI Key

MFHYHSQWDYJGMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02281879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.297

Distribution Coefficient, logD

4.294

Water Solubility, LogSw

-4.39

Polar Surface Area

56.912

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

D685-0076 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D685-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D685-0076?
Check Price and Availability of D685-0076, 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 D685-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D685-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D685-0076
  • 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 D685-0076 available by request