J014-1956 Screening compound: methyl 2-methyl-3-[6-methyl-4-(4-methylbenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-amido]benzoate

J014-1956 Screening compound: methyl 2-methyl-3-[6-methyl-4-(4-methylbenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-amido]benzoate
J014-1956 Screening compound: methyl 2-methyl-3-[6-methyl-4-(4-methylbenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound J014-1956
methyl 2-methyl-3-[6-methyl-4-(4-methylbenzenesulfonyl)-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

J014-1956

Molecular Formula

C26H26N2O6S (C26 H26 N2 O6 S)

Compound Name

methyl 2-methyl-3-[6-methyl-4-(4-methylbenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-amido]benzoate

IUPAC name

methyl 2-methyl-3-[6-methyl-4-(4-methylbenzenesulfonyl)-34-dihydro-2H-14-benzoxazine-2-amido]benzoate

SMILES

Cc(cc1)ccc1S(N(C1)c(cc(C)cc2)c2OC1C(Nc1c(C)c(C(OC)=O)ccc1)=O)(=O)=O

InChI

InChI=1S/C26H26N2O6S/c1-16-8-11-19(12-9-16)35(31,32)28-15-24(34-23-13-10-17(2)14-22(23)28)25(29)27-21-7-5-6-20(18(21)3)26(30)33-4/h5-14,24H,15H2,1-4H3,(H,27,29)/t24-/m1/s1

InChI Key

JMDOBQHXCVJHNS-XMMPIXPASA-N

MDL Number (MFCD)

MFCD27217512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.802

Distribution Coefficient, logD

4.801

Water Solubility, LogSw

-4.57

Polar Surface Area

81.959

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

J014-1956 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 J014-1956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J014-1956?
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What is the minimum amount of J014-1956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J014-1956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J014-1956
  • 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 J014-1956 available by request