J014-1219 Screening compound: methyl 3-[4-(benzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-amido]-2-methylbenzoate

J014-1219 Screening compound: methyl 3-[4-(benzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-amido]-2-methylbenzoate
J014-1219 Screening compound: methyl 3-[4-(benzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-amido]-2-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound J014-1219
methyl 3-[4-(benzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-amido]-2-methylbenzoate

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

J014-1219

Molecular Formula

C24H22N2O6S (C24 H22 N2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(C(OC)=O)ccc1)c1NC(C(C1)Oc(cccc2)c2N1S(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C24H22N2O6S/c1-16-18(24(28)31-2)11-8-12-19(16)25-23(27)22-15-26(20-13-6-7-14-21(20)32-22)33(29,30)17-9-4-3-5-10-17/h3-14,22H,15H2,1-2H3,(H,25,27)/t22-/m1/s1

InChI Key

YNVYTZZSHKHGKY-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD27217348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.51

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

3.736

Distribution Coefficient, logD

3.736

Water Solubility, LogSw

-4.11

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

16.70

J014-1219 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 J014-1219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J014-1219?
Check Price and Availability of J014-1219, 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 J014-1219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J014-1219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J014-1219
  • 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 J014-1219 available by request