J098-1244 Screening compound: 7-chloro-5-methanesulfonyl-2-(piperidine-1-carbonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine

J098-1244 Screening compound: 7-chloro-5-methanesulfonyl-2-(piperidine-1-carbonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine
J098-1244 Screening compound: 7-chloro-5-methanesulfonyl-2-(piperidine-1-carbonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound J098-1244
7-chloro-5-methanesulfonyl-2-(piperidine-1-carbonyl)-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

J098-1244

Molecular Formula

C16H21ClN2O4S (C16 H21 ClN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CS(N(CC1)c(cc(cc2)Cl)c2OC1C(N1CCCCC1)=O)(=O)=O

InChI

InChI=1S/C16H21ClN2O4S/c1-24(21,22)19-10-7-15(16(20)18-8-3-2-4-9-18)23-14-6-5-12(17)11-13(14)19/h5-6,11,15H,2-4,7-10H2,1H3/t15-/m1/s1

InChI Key

IHYQDRDJECNBTD-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD13982253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.87

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

2.233

Distribution Coefficient, logD

2.233

Water Solubility, LogSw

-3.08

Polar Surface Area

55.201

Acid Dissociation Constant (pKa)

22.47

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

J098-1244 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

CNS MPO Library (28609 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
  • Female
  • Congenital
  • Skin
  • Nervous system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with J098-1244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J098-1244?
Check Price and Availability of J098-1244, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J098-1244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J098-1244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J098-1244
  • 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 J098-1244 available by request