8016-9131 Screening compound: 7-methyl-3-oxo-N~6~-(5,6,7,8-tetrahydro-1-naphthalenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

8016-9131 Screening compound: 7-methyl-3-oxo-N~6~-(5,6,7,8-tetrahydro-1-naphthalenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
8016-9131 Screening compound: 7-methyl-3-oxo-N~6~-(5,6,7,8-tetrahydro-1-naphthalenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9131
7-methyl-3-oxo-N~6~-(5,6,7,8-tetrahydro-1-naphthalenyl)-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

8016-9131

Molecular Formula

C19H20N2O4S (C19 H20 N2 O4 S)

Compound Name

7-methyl-3-oxo-N~6~-(5,6,7,8-tetrahydro-1-naphthalenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

IUPAC name

7-methyl-3-oxo-N-(5678-tetrahydronaphthalen-1-yl)-34-dihydro-2H-14-benzoxazine-6-sulfonamide

SMILES

Cc(cc(c(N1)c2)OCC1=O)c2S(Nc1c(CCCC2)c2ccc1)(=O)=O

InChI

InChI=1S/C19H20N2O4S/c1-12-9-17-16(20-19(22)11-25-17)10-18(12)26(23,24)21-15-8-4-6-13-5-2-3-7-14(13)15/h4,6,8-10,21H,2-3,5,7,11H2,1H3,(H,20,22)

InChI Key

VMPIWKGTCRZCIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.44

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

3.217

Distribution Coefficient, logD

3.213

Water Solubility, LogSw

-3.39

Polar Surface Area

73.381

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.58

8016-9131 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-9131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9131?
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What is the minimum amount of 8016-9131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9131
  • 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 8016-9131 available by request