8018-9424 Screening compound: 2-methyl-3-oxo-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

8018-9424 Screening compound: 2-methyl-3-oxo-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
8018-9424 Screening compound: 2-methyl-3-oxo-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9424
2-methyl-3-oxo-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-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

8018-9424

Molecular Formula

C19H20N2O4S (C19 H20 N2 O4 S)

Compound Name

2-methyl-3-oxo-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

IUPAC name

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

SMILES

CC1Oc(ccc(S(Nc2cc(CCCC3)c3cc2)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C19H20N2O4S/c1-12-19(22)20-17-11-16(8-9-18(17)25-12)26(23,24)21-15-7-6-13-4-2-3-5-14(13)10-15/h6-12,21H,2-5H2,1H3,(H,20,22)/t12-/m1/s1

InChI Key

REOAJMOCLSMHKM-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD09063180

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

3.454

Distribution Coefficient, logD

3.452

Water Solubility, LogSw

-3.71

Polar Surface Area

73.417

Acid Dissociation Constant (pKa)

9.72

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

8018-9424 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-9424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9424?
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What is the minimum amount of 8018-9424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9424
  • 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 8018-9424 available by request