J014-1836 Screening compound: 4-[4-(benzenesulfonyl)-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]-1,2,3,4-tetrahydroquinoxalin-2-one

J014-1836 Screening compound: 4-[4-(benzenesulfonyl)-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]-1,2,3,4-tetrahydroquinoxalin-2-one
J014-1836 Screening compound: 4-[4-(benzenesulfonyl)-6-chloro-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 J014-1836
4-[4-(benzenesulfonyl)-6-chloro-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

J014-1836

Molecular Formula

C23H18ClN3O5S (C23 H18 ClN3 O5 S)

Compound Name

4-[4-(benzenesulfonyl)-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]-1,2,3,4-tetrahydroquinoxalin-2-one

IUPAC name

4-[4-(benzenesulfonyl)-6-chloro-34-dihydro-2H-14-benzoxazine-2-carbonyl]-1234-tetrahydroquinoxalin-2-one

SMILES

O=C(C(C1)Oc(ccc(Cl)c2)c2N1S(c1ccccc1)(=O)=O)N(C1)c(cccc2)c2NC1=O

InChI

InChI=1S/C23H18ClN3O5S/c24-15-10-11-20-19(12-15)27(33(30,31)16-6-2-1-3-7-16)13-21(32-20)23(29)26-14-22(28)25-17-8-4-5-9-18(17)26/h1-12,21H,13-14H2,(H,25,28)/t21-/m1/s1

InChI Key

CRZCUSDYGWWOIP-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD27217460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.93

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

3.130

Distribution Coefficient, logD

3.129

Water Solubility, LogSw

-3.49

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

13.00

J014-1836 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 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 J014-1836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J014-1836?
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What is the minimum amount of J014-1836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J014-1836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J014-1836
  • 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 J014-1836 available by request