J014-1765 Screening compound: 4-(benzenesulfonyl)-6-chloro-N-[(furan-2-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

J014-1765 Screening compound: 4-(benzenesulfonyl)-6-chloro-N-[(furan-2-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
J014-1765 Screening compound: 4-(benzenesulfonyl)-6-chloro-N-[(furan-2-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J014-1765
4-(benzenesulfonyl)-6-chloro-N-[(furan-2-yl)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

J014-1765

Molecular Formula

C20H17ClN2O5S (C20 H17 ClN2 O5 S)

Compound Name

4-(benzenesulfonyl)-6-chloro-N-[(furan-2-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

IUPAC name

4-(benzenesulfonyl)-6-chloro-N-[(furan-2-yl)methyl]-34-dihydro-2H-14-benzoxazine-2-carboxamide

SMILES

O=C(C(C1)Oc(ccc(Cl)c2)c2N1S(c1ccccc1)(=O)=O)NCc1ccco1

InChI

InChI=1S/C20H17ClN2O5S/c21-14-8-9-18-17(11-14)23(29(25,26)16-6-2-1-3-7-16)13-19(28-18)20(24)22-12-15-5-4-10-27-15/h1-11,19H,12-13H2,(H,22,24)/t19-/m1/s1

InChI Key

DQUAFSLAHGOHCX-LJQANCHMSA-N

MDL Number (MFCD)

MFCD27217443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.88

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.296

Distribution Coefficient, logD

3.296

Water Solubility, LogSw

-3.67

Polar Surface Area

70.553

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

-2.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

J014-1765 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 J014-1765 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J014-1765?
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What is the minimum amount of J014-1765 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J014-1765
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J014-1765
  • 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 J014-1765 available by request