J014-2418 Screening compound: methyl 3-[4-(4-methoxybenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-amido]-4-methylbenzoate

J014-2418 Screening compound: methyl 3-[4-(4-methoxybenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-amido]-4-methylbenzoate
J014-2418 Screening compound: methyl 3-[4-(4-methoxybenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-amido]-4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound J014-2418
methyl 3-[4-(4-methoxybenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-amido]-4-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

J014-2418

Molecular Formula

C25H24N2O7S (C25 H24 N2 O7 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(C(OC)=O)c1)c1NC(C(C1)Oc(cccc2)c2N1S(c(cc1)ccc1OC)(=O)=O)=O

InChI

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

InChI Key

MWYQBZFQDNVMEC-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD27217701

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

3.965

Distribution Coefficient, logD

3.965

Water Solubility, LogSw

-4.16

Polar Surface Area

89.502

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

J014-2418 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 J014-2418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J014-2418?
Check Price and Availability of J014-2418, 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 J014-2418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J014-2418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J014-2418
  • 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 J014-2418 available by request