J098-0501 Screening compound: 5-methanesulfonyl-7-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide

J098-0501 Screening compound: 5-methanesulfonyl-7-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
J098-0501 Screening compound: 5-methanesulfonyl-7-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J098-0501
5-methanesulfonyl-7-methyl-N-[2-(morpholine-4-carbonyl)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

J098-0501

Molecular Formula

C23H27N3O6S (C23 H27 N3 O6 S)

Compound Name

5-methanesulfonyl-7-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide

IUPAC name

5-methanesulfonyl-7-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-2345-tetrahydro-15-benzoxazepine-2-carboxamide

SMILES

Cc(cc1)cc(N(CC2)S(C)(=O)=O)c1OC2C(Nc(cccc1)c1C(N1CCOCC1)=O)=O

InChI

InChI=1S/C23H27N3O6S/c1-16-7-8-20-19(15-16)26(33(2,29)30)10-9-21(32-20)22(27)24-18-6-4-3-5-17(18)23(28)25-11-13-31-14-12-25/h3-8,15,21H,9-14H2,1-2H3,(H,24,27)/t21-/m1/s1

InChI Key

VQEYCLXPTLQMBE-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD27225239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.893

Distribution Coefficient, logD

1.887

Water Solubility, LogSw

-2.96

Polar Surface Area

85.503

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

J098-0501 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with J098-0501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J098-0501?
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What is the minimum amount of J098-0501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J098-0501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J098-0501
  • 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 J098-0501 available by request