D685-0249 Screening compound: 2-(4-chloro-2-methylphenoxy)-N-[3-(6-methyl-1H-1,3-benzodiazol-2-yl)phenyl]acetamide

D685-0249 Screening compound: 2-(4-chloro-2-methylphenoxy)-N-[3-(6-methyl-1H-1,3-benzodiazol-2-yl)phenyl]acetamide
D685-0249 Screening compound: 2-(4-chloro-2-methylphenoxy)-N-[3-(6-methyl-1H-1,3-benzodiazol-2-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D685-0249
2-(4-chloro-2-methylphenoxy)-N-[3-(6-methyl-1H-1,3-benzodiazol-2-yl)phenyl]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

D685-0249

Molecular Formula

C23H20ClN3O2 (C23 H20 ClN3 O2)

Compound Name

2-(4-chloro-2-methylphenoxy)-N-[3-(6-methyl-1H-1,3-benzodiazol-2-yl)phenyl]acetamide

IUPAC name

2-(4-chloro-2-methylphenoxy)-N-[3-(6-methyl-1H-13-benzodiazol-2-yl)phenyl]acetamide

SMILES

Cc(cc1)cc2c1nc(-c1cccc(NC(COc(cc3)c(C)cc3Cl)=O)c1)[nH]2

InChI

InChI=1S/C23H20ClN3O2/c1-14-6-8-19-20(10-14)27-23(26-19)16-4-3-5-18(12-16)25-22(28)13-29-21-9-7-17(24)11-15(21)2/h3-12H,13H2,1-2H3,(H,25,28)(H,26,27)

InChI Key

KITPVLAWTPVIQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.88

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

6.743

Distribution Coefficient, logD

6.742

Water Solubility, LogSw

-6.34

Polar Surface Area

49.721

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

4.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

D685-0249 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D685-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D685-0249?
Check Price and Availability of D685-0249, 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 D685-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D685-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D685-0249
  • 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 D685-0249 available by request