J014-2227 Screening compound: 6-chloro-N,N-dimethyl-4-(4-methylbenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

J014-2227 Screening compound: 6-chloro-N,N-dimethyl-4-(4-methylbenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
J014-2227 Screening compound: 6-chloro-N,N-dimethyl-4-(4-methylbenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J014-2227
6-chloro-N,N-dimethyl-4-(4-methylbenzenesulfonyl)-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

J014-2227

Molecular Formula

C18H19ClN2O4S (C18 H19 ClN2 O4 S)

Compound Name

6-chloro-N,N-dimethyl-4-(4-methylbenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

IUPAC name

6-chloro-NN-dimethyl-4-(4-methylbenzenesulfonyl)-34-dihydro-2H-14-benzoxazine-2-carboxamide

SMILES

Cc(cc1)ccc1S(N(C1)c(cc(cc2)Cl)c2OC1C(N(C)C)=O)(=O)=O

InChI

InChI=1S/C18H19ClN2O4S/c1-12-4-7-14(8-5-12)26(23,24)21-11-17(18(22)20(2)3)25-16-9-6-13(19)10-15(16)21/h4-10,17H,11H2,1-3H3/t17-/m1/s1

InChI Key

OZFJVALYGGQMLN-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD27217602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.705

Distribution Coefficient, logD

2.705

Water Solubility, LogSw

-3.39

Polar Surface Area

54.392

Acid Dissociation Constant (pKa)

17.99

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

J014-2227 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with J014-2227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J014-2227?
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What is the minimum amount of J014-2227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J014-2227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J014-2227
  • 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 J014-2227 available by request