J014-1132 Screening compound: 4-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

J014-1132 Screening compound: 4-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
J014-1132 Screening compound: 4-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J014-1132
4-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]-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

J014-1132

Molecular Formula

C22H17F3N2O4S (C22 H17 F3 N2 O4 S)

Compound Name

4-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

IUPAC name

4-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]-34-dihydro-2H-14-benzoxazine-2-carboxamide

SMILES

O=C(C(C1)Oc(cccc2)c2N1S(c1ccccc1)(=O)=O)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C22H17F3N2O4S/c23-22(24,25)15-7-6-8-16(13-15)26-21(28)20-14-27(18-11-4-5-12-19(18)31-20)32(29,30)17-9-2-1-3-10-17/h1-13,20H,14H2,(H,26,28)/t20-/m1/s1

InChI Key

ODSQVCNMYDHUAP-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD27217321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.490

Distribution Coefficient, logD

4.486

Water Solubility, LogSw

-4.39

Polar Surface Area

61.483

Acid Dissociation Constant (pKa)

9.47

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

J014-1132 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J014-1132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J014-1132?
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What is the minimum amount of J014-1132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J014-1132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J014-1132
  • 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 J014-1132 available by request