J014-2125 Screening compound: 7-methyl-4-(4-methylbenzenesulfonyl)-N-[3-(propan-2-yloxy)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

J014-2125 Screening compound: 7-methyl-4-(4-methylbenzenesulfonyl)-N-[3-(propan-2-yloxy)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
J014-2125 Screening compound: 7-methyl-4-(4-methylbenzenesulfonyl)-N-[3-(propan-2-yloxy)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J014-2125
7-methyl-4-(4-methylbenzenesulfonyl)-N-[3-(propan-2-yloxy)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

J014-2125

Molecular Formula

C26H28N2O5S (C26 H28 N2 O5 S)

Compound Name

7-methyl-4-(4-methylbenzenesulfonyl)-N-[3-(propan-2-yloxy)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

IUPAC name

7-methyl-4-(4-methylbenzenesulfonyl)-N-[3-(propan-2-yloxy)phenyl]-34-dihydro-2H-14-benzoxazine-2-carboxamide

SMILES

CC(C)Oc1cccc(NC(C(C2)Oc(cc(C)cc3)c3N2S(c2ccc(C)cc2)(=O)=O)=O)c1

InChI

InChI=1S/C26H28N2O5S/c1-17(2)32-21-7-5-6-20(15-21)27-26(29)25-16-28(23-13-10-19(4)14-24(23)33-25)34(30,31)22-11-8-18(3)9-12-22/h5-15,17,25H,16H2,1-4H3,(H,27,29)/t25-/m1/s1

InChI Key

GBBKOXXFVDIMFG-RUZDIDTESA-N

MDL Number (MFCD)

MFCD27217588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.58

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

5.206

Distribution Coefficient, logD

5.206

Water Solubility, LogSw

-4.95

Polar Surface Area

68.285

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

J014-2125 in Drug Discovery

Included in Screening Libraries

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
  • 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 J014-2125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J014-2125?
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What is the minimum amount of J014-2125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J014-2125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J014-2125
  • 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 J014-2125 available by request