J014-2626 Screening compound: 4-(4-methoxybenzenesulfonyl)-7-methyl-N-(1-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

J014-2626 Screening compound: 4-(4-methoxybenzenesulfonyl)-7-methyl-N-(1-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
J014-2626 Screening compound: 4-(4-methoxybenzenesulfonyl)-7-methyl-N-(1-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J014-2626
4-(4-methoxybenzenesulfonyl)-7-methyl-N-(1-phenylethyl)-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

J014-2626

Molecular Formula

C25H26N2O5S (C25 H26 N2 O5 S)

Compound Name

4-(4-methoxybenzenesulfonyl)-7-methyl-N-(1-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

IUPAC name

4-(4-methoxybenzenesulfonyl)-7-methyl-N-(1-phenylethyl)-34-dihydro-2H-14-benzoxazine-2-carboxamide

SMILES

CC(c1ccccc1)NC(C(C1)Oc(cc(C)cc2)c2N1S(c(cc1)ccc1OC)(=O)=O)=O

InChI

InChI=1S/C25H26N2O5S/c1-17-9-14-22-23(15-17)32-24(25(28)26-18(2)19-7-5-4-6-8-19)16-27(22)33(29,30)21-12-10-20(31-3)11-13-21/h4-15,18,24H,16H2,1-3H3,(H,26,28)

InChI Key

MOBYYJLRJZDEHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27217720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.096

Distribution Coefficient, logD

4.096

Water Solubility, LogSw

-4.24

Polar Surface Area

69.512

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.00

J014-2626 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • 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 J014-2626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J014-2626?
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What is the minimum amount of J014-2626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J014-2626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J014-2626
  • 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 J014-2626 available by request