J098-1291 Screening compound: 7-chloro-N-(2-ethylphenyl)-5-methanesulfonyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide

J098-1291 Screening compound: 7-chloro-N-(2-ethylphenyl)-5-methanesulfonyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
J098-1291 Screening compound: 7-chloro-N-(2-ethylphenyl)-5-methanesulfonyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J098-1291
7-chloro-N-(2-ethylphenyl)-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

J098-1291

Molecular Formula

C19H21ClN2O4S (C19 H21 ClN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cccc1)c1NC(C(CC1)Oc(ccc(Cl)c2)c2N1S(C)(=O)=O)=O

InChI

InChI=1S/C19H21ClN2O4S/c1-3-13-6-4-5-7-15(13)21-19(23)18-10-11-22(27(2,24)25)16-12-14(20)8-9-17(16)26-18/h4-9,12,18H,3,10-11H2,1-2H3,(H,21,23)/t18-/m1/s1

InChI Key

HKOWLVDBEAHSQD-GOSISDBHSA-N

MDL Number (MFCD)

MFCD13982877

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

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.679

Distribution Coefficient, logD

3.679

Water Solubility, LogSw

-4.00

Polar Surface Area

60.946

Acid Dissociation Constant (pKa)

12.43

Base Dissociation Constant (pKb)

1.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

J098-1291 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 J098-1291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J098-1291?
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What is the minimum amount of J098-1291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J098-1291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J098-1291
  • 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 J098-1291 available by request