8016-9130 Screening compound: N-(3-fluoro-2-methylphenyl)-7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

8016-9130 Screening compound: N-(3-fluoro-2-methylphenyl)-7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
8016-9130 Screening compound: N-(3-fluoro-2-methylphenyl)-7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9130
N-(3-fluoro-2-methylphenyl)-7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-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

8016-9130

Molecular Formula

C16H15FN2O4S (C16 H15 FN2 O4 S)

Compound Name

N-(3-fluoro-2-methylphenyl)-7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

IUPAC name

N-(3-fluoro-2-methylphenyl)-7-methyl-3-oxo-34-dihydro-2H-14-benzoxazine-6-sulfonamide

SMILES

Cc(cc(c(N1)c2)OCC1=O)c2S(Nc1c(C)c(F)ccc1)(=O)=O

InChI

InChI=1S/C16H15FN2O4S/c1-9-6-14-13(18-16(20)8-23-14)7-15(9)24(21,22)19-12-5-3-4-11(17)10(12)2/h3-7,19H,8H2,1-2H3,(H,18,20)

InChI Key

JGJMYNLORAAWPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.419

Distribution Coefficient, logD

1.738

Water Solubility, LogSw

-2.95

Polar Surface Area

73.460

Acid Dissociation Constant (pKa)

6.82

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

8016-9130 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8016-9130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9130?
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What is the minimum amount of 8016-9130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9130
  • 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 8016-9130 available by request