8018-9418 Screening compound: 4-methyl-3-oxo-N-(2-oxothiolan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

8018-9418 Screening compound: 4-methyl-3-oxo-N-(2-oxothiolan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
8018-9418 Screening compound: 4-methyl-3-oxo-N-(2-oxothiolan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9418
4-methyl-3-oxo-N-(2-oxothiolan-3-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

8018-9418

Molecular Formula

C13H14N2O5S2 (C13 H14 N2 O5 S2)

Compound Name

4-methyl-3-oxo-N-(2-oxothiolan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

IUPAC name

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

SMILES

CN1c(cc(cc2)S(NC(CCS3)C3=O)(=O)=O)c2OCC1=O

InChI

InChI=1S/C13H14N2O5S2/c1-15-10-6-8(2-3-11(10)20-7-12(15)16)22(18,19)14-9-4-5-21-13(9)17/h2-3,6,9,14H,4-5,7H2,1H3/t9-/m0/s1

InChI Key

IXVKJZHGCPOBSW-VIFPVBQESA-N

MDL Number (MFCD)

MFCD09063174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.521

Distribution Coefficient, logD

0.435

Water Solubility, LogSw

-2.53

Polar Surface Area

79.631

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

-3.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

8018-9418 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Agro:
  • Agro
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8018-9418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9418?
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What is the minimum amount of 8018-9418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9418
  • 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 8018-9418 available by request