8013-6041 Screening compound: 3-methyl-2-oxo-N~6~-(2-pyridyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

8013-6041 Screening compound: 3-methyl-2-oxo-N~6~-(2-pyridyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
8013-6041 Screening compound: 3-methyl-2-oxo-N~6~-(2-pyridyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6041
3-methyl-2-oxo-N~6~-(2-pyridyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

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

8013-6041

Molecular Formula

C13H11N3O4S (C13 H11 N3 O4 S)

Compound Name

3-methyl-2-oxo-N~6~-(2-pyridyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

IUPAC name

3-methyl-2-oxo-N-(pyridin-2-yl)-23-dihydro-13-benzoxazole-6-sulfonamide

SMILES

CN(c(ccc(S(Nc1ncccc1)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C13H11N3O4S/c1-16-10-6-5-9(8-11(10)20-13(16)17)21(18,19)15-12-4-2-3-7-14-12/h2-8H,1H3,(H,14,15)

InChI Key

YBXVBJCIEODZBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.156

Distribution Coefficient, logD

1.101

Water Solubility, LogSw

-2.60

Polar Surface Area

73.369

Acid Dissociation Constant (pKa)

8.28

Base Dissociation Constant (pKb)

0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

8013-6041 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8013-6041 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8013-6041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6041
  • 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 8013-6041 available by request