J098-0557 Screening compound: N-(2,5-dimethoxyphenyl)-5-methanesulfonyl-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide

J098-0557 Screening compound: N-(2,5-dimethoxyphenyl)-5-methanesulfonyl-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
J098-0557 Screening compound: N-(2,5-dimethoxyphenyl)-5-methanesulfonyl-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J098-0557
N-(2,5-dimethoxyphenyl)-5-methanesulfonyl-7-methyl-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

J098-0557

Molecular Formula

C20H24N2O6S (C20 H24 N2 O6 S)

Compound Name

N-(2,5-dimethoxyphenyl)-5-methanesulfonyl-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide

IUPAC name

N-(25-dimethoxyphenyl)-5-methanesulfonyl-7-methyl-2345-tetrahydro-15-benzoxazepine-2-carboxamide

SMILES

Cc(cc1)cc(N(CC2)S(C)(=O)=O)c1OC2C(Nc(cc(cc1)OC)c1OC)=O

InChI

InChI=1S/C20H24N2O6S/c1-13-5-7-18-16(11-13)22(29(4,24)25)10-9-19(28-18)20(23)21-15-12-14(26-2)6-8-17(15)27-3/h5-8,11-12,19H,9-10H2,1-4H3,(H,21,23)/t19-/m1/s1

InChI Key

WCHXYGMOPFEBAM-LJQANCHMSA-N

MDL Number (MFCD)

MFCD27225278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.738

Distribution Coefficient, logD

2.737

Water Solubility, LogSw

-3.41

Polar Surface Area

76.121

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

J098-0557 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 J098-0557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J098-0557?
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What is the minimum amount of J098-0557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J098-0557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J098-0557
  • 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 J098-0557 available by request