J014-1265 Screening compound: methyl 3-[4-(benzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-amido]benzoate

J014-1265 Screening compound: methyl 3-[4-(benzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-amido]benzoate
J014-1265 Screening compound: methyl 3-[4-(benzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound J014-1265
methyl 3-[4-(benzenesulfonyl)-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

J014-1265

Molecular Formula

C23H20N2O6S (C23 H20 N2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

COC(c1cccc(NC(C(C2)Oc(cccc3)c3N2S(c2ccccc2)(=O)=O)=O)c1)=O

InChI

InChI=1S/C23H20N2O6S/c1-30-23(27)16-8-7-9-17(14-16)24-22(26)21-15-25(19-12-5-6-13-20(19)31-21)32(28,29)18-10-3-2-4-11-18/h2-14,21H,15H2,1H3,(H,24,26)/t21-/m1/s1

InChI Key

KHJXTHOVYOXHBT-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD09679085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.49

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

3.718

Distribution Coefficient, logD

3.718

Water Solubility, LogSw

-4.05

Polar Surface Area

82.656

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

J014-1265 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 J014-1265 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J014-1265?
Check Price and Availability of J014-1265, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J014-1265 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J014-1265
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J014-1265
  • 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 J014-1265 available by request