J014-2656 Screening compound: methyl 4-[4-(4-methoxybenzenesulfonyl)-7-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-amido]benzoate

J014-2656 Screening compound: methyl 4-[4-(4-methoxybenzenesulfonyl)-7-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-amido]benzoate
J014-2656 Screening compound: methyl 4-[4-(4-methoxybenzenesulfonyl)-7-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound J014-2656
methyl 4-[4-(4-methoxybenzenesulfonyl)-7-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-amido]benzoate

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

J014-2656

Molecular Formula

C25H24N2O7S (C25 H24 N2 O7 S)

Compound Name

methyl 4-[4-(4-methoxybenzenesulfonyl)-7-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-amido]benzoate

IUPAC name

methyl 4-[4-(4-methoxybenzenesulfonyl)-7-methyl-34-dihydro-2H-14-benzoxazine-2-amido]benzoate

SMILES

Cc(cc1)cc(OC(C2)C(Nc(cc3)ccc3C(OC)=O)=O)c1N2S(c(cc1)ccc1OC)(=O)=O

InChI

InChI=1S/C25H24N2O7S/c1-16-4-13-21-22(14-16)34-23(24(28)26-18-7-5-17(6-8-18)25(29)33-3)15-27(21)35(30,31)20-11-9-19(32-2)10-12-20/h4-14,23H,15H2,1-3H3,(H,26,28)/t23-/m1/s1

InChI Key

KUJNNWLEFGWDDK-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD27217744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.156

Distribution Coefficient, logD

4.155

Water Solubility, LogSw

-4.32

Polar Surface Area

90.200

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

J014-2656 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 J014-2656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J014-2656?
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What is the minimum amount of J014-2656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J014-2656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J014-2656
  • 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 J014-2656 available by request