J014-2102 Screening compound: N-[(2-chlorophenyl)methyl]-7-methyl-4-(4-methylbenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

J014-2102 Screening compound: N-[(2-chlorophenyl)methyl]-7-methyl-4-(4-methylbenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
J014-2102 Screening compound: N-[(2-chlorophenyl)methyl]-7-methyl-4-(4-methylbenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J014-2102
N-[(2-chlorophenyl)methyl]-7-methyl-4-(4-methylbenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

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

J014-2102

Molecular Formula

C24H23ClN2O4S (C24 H23 ClN2 O4 S)

Compound Name

N-[(2-chlorophenyl)methyl]-7-methyl-4-(4-methylbenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

IUPAC name

N-[(2-chlorophenyl)methyl]-7-methyl-4-(4-methylbenzenesulfonyl)-34-dihydro-2H-14-benzoxazine-2-carboxamide

SMILES

Cc(cc1)ccc1S(N(C1)c(ccc(C)c2)c2OC1C(NCc(cccc1)c1Cl)=O)(=O)=O

InChI

InChI=1S/C24H23ClN2O4S/c1-16-7-10-19(11-8-16)32(29,30)27-15-23(31-22-13-17(2)9-12-21(22)27)24(28)26-14-18-5-3-4-6-20(18)25/h3-13,23H,14-15H2,1-2H3,(H,26,28)/t23-/m0/s1

InChI Key

WCBUGMQVHVFFCI-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD27217581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.806

Distribution Coefficient, logD

4.806

Water Solubility, LogSw

-4.86

Polar Surface Area

62.805

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

J014-2102 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 J014-2102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J014-2102?
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What is the minimum amount of J014-2102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J014-2102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J014-2102
  • 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 J014-2102 available by request