J098-1247 Screening compound: 2-(azepane-1-carbonyl)-7-chloro-5-methanesulfonyl-2,3,4,5-tetrahydro-1,5-benzoxazepine

J098-1247 Screening compound: 2-(azepane-1-carbonyl)-7-chloro-5-methanesulfonyl-2,3,4,5-tetrahydro-1,5-benzoxazepine
J098-1247 Screening compound: 2-(azepane-1-carbonyl)-7-chloro-5-methanesulfonyl-2,3,4,5-tetrahydro-1,5-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound J098-1247
2-(azepane-1-carbonyl)-7-chloro-5-methanesulfonyl-2,3,4,5-tetrahydro-1,5-benzoxazepine

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

J098-1247

Molecular Formula

C17H23ClN2O4S (C17 H23 ClN2 O4 S)

Compound Name

2-(azepane-1-carbonyl)-7-chloro-5-methanesulfonyl-2,3,4,5-tetrahydro-1,5-benzoxazepine

IUPAC name

2-(azepane-1-carbonyl)-7-chloro-5-methanesulfonyl-2345-tetrahydro-15-benzoxazepine

SMILES

CS(N(CC1)c(cc(cc2)Cl)c2OC1C(N1CCCCCC1)=O)(=O)=O

InChI

InChI=1S/C17H23ClN2O4S/c1-25(22,23)20-11-8-16(17(21)19-9-4-2-3-5-10-19)24-15-7-6-13(18)12-14(15)20/h6-7,12,16H,2-5,8-11H2,1H3/t16-/m1/s1

InChI Key

LVWBEEVJCJZVSK-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD13984042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.729

Distribution Coefficient, logD

2.729

Water Solubility, LogSw

-3.42

Polar Surface Area

55.532

Acid Dissociation Constant (pKa)

22.47

Base Dissociation Constant (pKb)

6.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.80

J098-1247 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

KRAS-Targeted Library (16000 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J098-1247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J098-1247?
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What is the minimum amount of J098-1247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J098-1247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J098-1247
  • 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 J098-1247 available by request