J098-1399 Screening compound: 7-chloro-5-methanesulfonyl-N-[2-(propylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide

J098-1399 Screening compound: 7-chloro-5-methanesulfonyl-N-[2-(propylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
J098-1399 Screening compound: 7-chloro-5-methanesulfonyl-N-[2-(propylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J098-1399
7-chloro-5-methanesulfonyl-N-[2-(propylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-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

J098-1399

Molecular Formula

C21H24ClN3O5S (C21 H24 ClN3 O5 S)

Compound Name

7-chloro-5-methanesulfonyl-N-[2-(propylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide

IUPAC name

7-chloro-5-methanesulfonyl-N-[2-(propylcarbamoyl)phenyl]-2345-tetrahydro-15-benzoxazepine-2-carboxamide

SMILES

CCCNC(c(cccc1)c1NC(C(CC1)Oc(ccc(Cl)c2)c2N1S(C)(=O)=O)=O)=O

InChI

InChI=1S/C21H24ClN3O5S/c1-3-11-23-20(26)15-6-4-5-7-16(15)24-21(27)19-10-12-25(31(2,28)29)17-13-14(22)8-9-18(17)30-19/h4-9,13,19H,3,10-12H2,1-2H3,(H,23,26)(H,24,27)/t19-/m1/s1

InChI Key

GPHRCMSSKDCILW-LJQANCHMSA-N

MDL Number (MFCD)

MFCD13988919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.96

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.930

Distribution Coefficient, logD

2.929

Water Solubility, LogSw

-3.75

Polar Surface Area

85.473

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

J098-1399 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with J098-1399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J098-1399?
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What is the minimum amount of J098-1399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J098-1399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J098-1399
  • 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 J098-1399 available by request