6406-0322 Screening compound: 2-(2-phenylmethanesulfonyl-1H-1,3-benzodiazol-1-yl)-N-[2-(propan-2-yloxy)phenyl]acetamide

6406-0322 Screening compound: 2-(2-phenylmethanesulfonyl-1H-1,3-benzodiazol-1-yl)-N-[2-(propan-2-yloxy)phenyl]acetamide
6406-0322 Screening compound: 2-(2-phenylmethanesulfonyl-1H-1,3-benzodiazol-1-yl)-N-[2-(propan-2-yloxy)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6406-0322
2-(2-phenylmethanesulfonyl-1H-1,3-benzodiazol-1-yl)-N-[2-(propan-2-yloxy)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

6406-0322

Molecular Formula

C25H25N3O4S (C25 H25 N3 O4 S)

Compound Name

2-(2-phenylmethanesulfonyl-1H-1,3-benzodiazol-1-yl)-N-[2-(propan-2-yloxy)phenyl]acetamide

IUPAC name

2-(2-phenylmethanesulfonyl-1H-13-benzodiazol-1-yl)-N-[2-(propan-2-yloxy)phenyl]acetamide

SMILES

CC(C)Oc(cccc1)c1NC(Cn1c(S(Cc2ccccc2)(=O)=O)nc2c1cccc2)=O

InChI

InChI=1S/C25H25N3O4S/c1-18(2)32-23-15-9-7-13-21(23)26-24(29)16-28-22-14-8-6-12-20(22)27-25(28)33(30,31)17-19-10-4-3-5-11-19/h3-15,18H,16-17H2,1-2H3,(H,26,29)

InChI Key

BYMQCUZTEOQZCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03668282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.428

Distribution Coefficient, logD

4.428

Water Solubility, LogSw

-4.32

Polar Surface Area

69.226

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

6406-0322 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6406-0322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6406-0322?
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What is the minimum amount of 6406-0322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6406-0322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6406-0322
  • 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 6406-0322 available by request