J014-0314 Screening compound: N-(3-chloro-2-methylphenyl)-4-methanesulfonyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

J014-0314 Screening compound: N-(3-chloro-2-methylphenyl)-4-methanesulfonyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
J014-0314 Screening compound: N-(3-chloro-2-methylphenyl)-4-methanesulfonyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J014-0314
N-(3-chloro-2-methylphenyl)-4-methanesulfonyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

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

J014-0314

Molecular Formula

C18H19ClN2O4S (C18 H19 ClN2 O4 S)

Compound Name

N-(3-chloro-2-methylphenyl)-4-methanesulfonyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

IUPAC name

N-(3-chloro-2-methylphenyl)-4-methanesulfonyl-6-methyl-34-dihydro-2H-14-benzoxazine-2-carboxamide

SMILES

Cc(cc1)cc(N(C2)S(C)(=O)=O)c1OC2C(Nc1cccc(Cl)c1C)=O

InChI

InChI=1S/C18H19ClN2O4S/c1-11-7-8-16-15(9-11)21(26(3,23)24)10-17(25-16)18(22)20-14-6-4-5-13(19)12(14)2/h4-9,17H,10H2,1-3H3,(H,20,22)/t17-/m0/s1

InChI Key

PDOQAAAPGPJBAX-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD13985217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.558

Distribution Coefficient, logD

3.556

Water Solubility, LogSw

-3.78

Polar Surface Area

60.549

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with J014-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J014-0314?
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What is the minimum amount of J014-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J014-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J014-0314
  • 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 J014-0314 available by request