J098-1273 Screening compound: 7-chloro-N,N-diethyl-5-methanesulfonyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide

J098-1273 Screening compound: 7-chloro-N,N-diethyl-5-methanesulfonyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
J098-1273 Screening compound: 7-chloro-N,N-diethyl-5-methanesulfonyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J098-1273
7-chloro-N,N-diethyl-5-methanesulfonyl-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

J098-1273

Molecular Formula

C15H21ClN2O4S (C15 H21 ClN2 O4 S)

Compound Name

7-chloro-N,N-diethyl-5-methanesulfonyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide

IUPAC name

7-chloro-NN-diethyl-5-methanesulfonyl-2345-tetrahydro-15-benzoxazepine-2-carboxamide

SMILES

CCN(CC)C(C(CC1)Oc(ccc(Cl)c2)c2N1S(C)(=O)=O)=O

InChI

InChI=1S/C15H21ClN2O4S/c1-4-17(5-2)15(19)14-8-9-18(23(3,20)21)12-10-11(16)6-7-13(12)22-14/h6-7,10,14H,4-5,8-9H2,1-3H3/t14-/m1/s1

InChI Key

KLJJQGYKOGDFSS-CQSZACIVSA-N

MDL Number (MFCD)

MFCD13982179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.073

Distribution Coefficient, logD

2.073

Water Solubility, LogSw

-2.86

Polar Surface Area

54.485

Acid Dissociation Constant (pKa)

22.47

Base Dissociation Constant (pKb)

6.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.30

J098-1273 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 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:
  • Nervous system
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with J098-1273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J098-1273?
Check Price and Availability of J098-1273, 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 J098-1273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J098-1273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J098-1273
  • 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 J098-1273 available by request