C989-0377 Screening compound: 2-[6-(azepane-1-sulfonyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]-N-(3-methylphenyl)acetamide

C989-0377 Screening compound: 2-[6-(azepane-1-sulfonyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]-N-(3-methylphenyl)acetamide
C989-0377 Screening compound: 2-[6-(azepane-1-sulfonyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]-N-(3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C989-0377
2-[6-(azepane-1-sulfonyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]-N-(3-methylphenyl)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

C989-0377

Molecular Formula

C22H25N3O5S (C22 H25 N3 O5 S)

Compound Name

2-[6-(azepane-1-sulfonyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]-N-(3-methylphenyl)acetamide

IUPAC name

2-[6-(azepane-1-sulfonyl)-2-oxo-23-dihydro-13-benzoxazol-3-yl]-N-(3-methylphenyl)acetamide

SMILES

Cc1cccc(NC(CN(c(ccc(S(N2CCCCCC2)(=O)=O)c2)c2O2)C2=O)=O)c1

InChI

InChI=1S/C22H25N3O5S/c1-16-7-6-8-17(13-16)23-21(26)15-25-19-10-9-18(14-20(19)30-22(25)27)31(28,29)24-11-4-2-3-5-12-24/h6-10,13-14H,2-5,11-12,15H2,1H3,(H,23,26)

InChI Key

OCSPJJRCSZNYSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08847923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.686

Distribution Coefficient, logD

3.686

Water Solubility, LogSw

-3.96

Polar Surface Area

78.258

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C989-0377 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Purinergic Library (3321 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C989-0377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C989-0377?
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What is the minimum amount of C989-0377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C989-0377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C989-0377
  • 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 C989-0377 available by request