J098-1278 Screening compound: 7-chloro-5-methanesulfonyl-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide

J098-1278 Screening compound: 7-chloro-5-methanesulfonyl-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
J098-1278 Screening compound: 7-chloro-5-methanesulfonyl-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J098-1278
7-chloro-5-methanesulfonyl-N-(2-phenylethyl)-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

J098-1278

Molecular Formula

C19H21ClN2O4S (C19 H21 ClN2 O4 S)

Compound Name

7-chloro-5-methanesulfonyl-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide

IUPAC name

7-chloro-5-methanesulfonyl-N-(2-phenylethyl)-2345-tetrahydro-15-benzoxazepine-2-carboxamide

SMILES

CS(N(CC1)c(cc(cc2)Cl)c2OC1C(NCCc1ccccc1)=O)(=O)=O

InChI

InChI=1S/C19H21ClN2O4S/c1-27(24,25)22-12-10-18(26-17-8-7-15(20)13-16(17)22)19(23)21-11-9-14-5-3-2-4-6-14/h2-8,13,18H,9-12H2,1H3,(H,21,23)/t18-/m1/s1

InChI Key

OHZAGIJJZPGTTP-GOSISDBHSA-N

MDL Number (MFCD)

MFCD13982399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.572

Distribution Coefficient, logD

2.572

Water Solubility, LogSw

-3.52

Polar Surface Area

62.808

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

0.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

J098-1278 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with J098-1278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J098-1278?
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What is the minimum amount of J098-1278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J098-1278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J098-1278
  • 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 J098-1278 available by request