J098-0021 Screening compound: 5-methanesulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide

J098-0021 Screening compound: 5-methanesulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
J098-0021 Screening compound: 5-methanesulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J098-0021
5-methanesulfonyl-N-[2-(piperidine-1-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

J098-0021

Molecular Formula

C23H27N3O5S (C23 H27 N3 O5 S)

Compound Name

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

IUPAC name

5-methanesulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]-2345-tetrahydro-15-benzoxazepine-2-carboxamide

SMILES

CS(N(CC1)c(cccc2)c2OC1C(Nc(cccc1)c1C(N1CCCCC1)=O)=O)(=O)=O

InChI

InChI=1S/C23H27N3O5S/c1-32(29,30)26-16-13-21(31-20-12-6-5-11-19(20)26)22(27)24-18-10-4-3-9-17(18)23(28)25-14-7-2-8-15-25/h3-6,9-12,21H,2,7-8,13-16H2,1H3,(H,24,27)/t21-/m1/s1

InChI Key

IVCFVDGUCVAIOA-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD13989356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.594

Distribution Coefficient, logD

2.588

Water Solubility, LogSw

-3.57

Polar Surface Area

77.595

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

J098-0021 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 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

References: we are preparing a list of scientific research reports with J098-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J098-0021?
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What is the minimum amount of J098-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J098-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J098-0021
  • 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 J098-0021 available by request