J014-2136 Screening compound: 4-[7-methyl-4-(4-methylbenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]-1,2,3,4-tetrahydroquinoxalin-2-one

J014-2136 Screening compound: 4-[7-methyl-4-(4-methylbenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]-1,2,3,4-tetrahydroquinoxalin-2-one
J014-2136 Screening compound: 4-[7-methyl-4-(4-methylbenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]-1,2,3,4-tetrahydroquinoxalin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J014-2136
4-[7-methyl-4-(4-methylbenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]-1,2,3,4-tetrahydroquinoxalin-2-one

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

J014-2136

Molecular Formula

C25H23N3O5S (C25 H23 N3 O5 S)

Compound Name

4-[7-methyl-4-(4-methylbenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]-1,2,3,4-tetrahydroquinoxalin-2-one

IUPAC name

4-[7-methyl-4-(4-methylbenzenesulfonyl)-34-dihydro-2H-14-benzoxazine-2-carbonyl]-1234-tetrahydroquinoxalin-2-one

SMILES

Cc(cc1)ccc1S(N(C1)c(ccc(C)c2)c2OC1C(N(C1)c(cccc2)c2NC1=O)=O)(=O)=O

InChI

InChI=1S/C25H23N3O5S/c1-16-7-10-18(11-8-16)34(31,32)28-14-23(33-22-13-17(2)9-12-21(22)28)25(30)27-15-24(29)26-19-5-3-4-6-20(19)27/h3-13,23H,14-15H2,1-2H3,(H,26,29)/t23-/m1/s1

InChI Key

HLSWRGPWXGIZOF-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD27217591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.608

Distribution Coefficient, logD

3.607

Water Solubility, LogSw

-3.87

Polar Surface Area

78.538

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

J014-2136 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • 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 J014-2136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J014-2136?
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What is the minimum amount of J014-2136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J014-2136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J014-2136
  • 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 J014-2136 available by request