J014-1907 Screening compound: 6-methyl-4-(4-methylbenzenesulfonyl)-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

J014-1907 Screening compound: 6-methyl-4-(4-methylbenzenesulfonyl)-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
J014-1907 Screening compound: 6-methyl-4-(4-methylbenzenesulfonyl)-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J014-1907
6-methyl-4-(4-methylbenzenesulfonyl)-N-[(4-methylphenyl)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

J014-1907

Molecular Formula

C25H26N2O4S (C25 H26 N2 O4 S)

Compound Name

6-methyl-4-(4-methylbenzenesulfonyl)-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

IUPAC name

6-methyl-4-(4-methylbenzenesulfonyl)-N-[(4-methylphenyl)methyl]-34-dihydro-2H-14-benzoxazine-2-carboxamide

SMILES

Cc1ccc(CNC(C(C2)Oc(ccc(C)c3)c3N2S(c2ccc(C)cc2)(=O)=O)=O)cc1

InChI

InChI=1S/C25H26N2O4S/c1-17-4-9-20(10-5-17)15-26-25(28)24-16-27(22-14-19(3)8-13-23(22)31-24)32(29,30)21-11-6-18(2)7-12-21/h4-14,24H,15-16H2,1-3H3,(H,26,28)/t24-/m1/s1

InChI Key

KYUKYIIBMPCYPY-XMMPIXPASA-N

MDL Number (MFCD)

MFCD27217495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.56

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

4.453

Distribution Coefficient, logD

4.453

Water Solubility, LogSw

-4.34

Polar Surface Area

62.805

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

J014-1907 in Drug Discovery

Included in Screening Libraries

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 J014-1907 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J014-1907?
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What is the minimum amount of J014-1907 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J014-1907
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J014-1907
  • 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 J014-1907 available by request