J098-0660 Screening compound: 5-methanesulfonyl-7-methyl-N-[3-(prop-2-en-1-yloxy)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide

J098-0660 Screening compound: 5-methanesulfonyl-7-methyl-N-[3-(prop-2-en-1-yloxy)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
J098-0660 Screening compound: 5-methanesulfonyl-7-methyl-N-[3-(prop-2-en-1-yloxy)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J098-0660
5-methanesulfonyl-7-methyl-N-[3-(prop-2-en-1-yloxy)phenyl]-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

J098-0660

Molecular Formula

C21H24N2O5S (C21 H24 N2 O5 S)

Compound Name

5-methanesulfonyl-7-methyl-N-[3-(prop-2-en-1-yloxy)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide

IUPAC name

5-methanesulfonyl-7-methyl-N-[3-(prop-2-en-1-yloxy)phenyl]-2345-tetrahydro-15-benzoxazepine-2-carboxamide

SMILES

Cc(cc1)cc(N(CC2)S(C)(=O)=O)c1OC2C(Nc1cc(OCC=C)ccc1)=O

InChI

InChI=1S/C21H24N2O5S/c1-4-12-27-17-7-5-6-16(14-17)22-21(24)20-10-11-23(29(3,25)26)18-13-15(2)8-9-19(18)28-20/h4-9,13-14,20H,1,10-12H2,2-3H3,(H,22,24)/t20-/m1/s1

InChI Key

YZPYJVVQNSAFEG-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD27225343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.375

Distribution Coefficient, logD

3.374

Water Solubility, LogSw

-3.72

Polar Surface Area

69.062

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

2.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

J098-0660 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 J098-0660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J098-0660?
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What is the minimum amount of J098-0660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J098-0660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J098-0660
  • 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 J098-0660 available by request