D685-0044 Screening compound: N-[5-(1H-1,3-benzodiazol-2-yl)-2-methylphenyl]-2-(4-methoxyphenyl)acetamide

D685-0044 Screening compound: N-[5-(1H-1,3-benzodiazol-2-yl)-2-methylphenyl]-2-(4-methoxyphenyl)acetamide
D685-0044 Screening compound: N-[5-(1H-1,3-benzodiazol-2-yl)-2-methylphenyl]-2-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D685-0044
N-[5-(1H-1,3-benzodiazol-2-yl)-2-methylphenyl]-2-(4-methoxyphenyl)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

D685-0044

Molecular Formula

C23H21N3O2 (C23 H21 N3 O2)

Compound Name

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

IUPAC name

N-[5-(1H-13-benzodiazol-2-yl)-2-methylphenyl]-2-(4-methoxyphenyl)acetamide

SMILES

Cc(ccc(-c1nc(cccc2)c2[nH]1)c1)c1NC(Cc(cc1)ccc1OC)=O

InChI

InChI=1S/C23H21N3O2/c1-15-7-10-17(23-25-19-5-3-4-6-20(19)26-23)14-21(15)24-22(27)13-16-8-11-18(28-2)12-9-16/h3-12,14H,13H2,1-2H3,(H,24,27)(H,25,26)

InChI Key

MMMSXRCJBRASED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.346

Distribution Coefficient, logD

4.343

Water Solubility, LogSw

-4.41

Polar Surface Area

48.982

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

D685-0044 in Drug Discovery

Included in Screening Libraries

Proline Kinase Library (2105 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D685-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D685-0044?
Check Price and Availability of D685-0044, 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 D685-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D685-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D685-0044
  • 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 D685-0044 available by request