J098-0157 Screening compound: N-(3-acetylphenyl)-5-methanesulfonyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide

J098-0157 Screening compound: N-(3-acetylphenyl)-5-methanesulfonyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
J098-0157 Screening compound: N-(3-acetylphenyl)-5-methanesulfonyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J098-0157
N-(3-acetylphenyl)-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

J098-0157

Molecular Formula

C19H20N2O5S (C19 H20 N2 O5 S)

Compound Name

N-(3-acetylphenyl)-5-methanesulfonyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide

IUPAC name

N-(3-acetylphenyl)-5-methanesulfonyl-2345-tetrahydro-15-benzoxazepine-2-carboxamide

SMILES

CC(c1cccc(NC(C(CC2)Oc(cccc3)c3N2S(C)(=O)=O)=O)c1)=O

InChI

InChI=1S/C19H20N2O5S/c1-13(22)14-6-5-7-15(12-14)20-19(23)18-10-11-21(27(2,24)25)16-8-3-4-9-17(16)26-18/h3-9,12,18H,10-11H2,1-2H3,(H,20,23)/t18-/m1/s1

InChI Key

QQWAZONSCJUQQQ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD13988009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.040

Distribution Coefficient, logD

2.040

Water Solubility, LogSw

-2.89

Polar Surface Area

75.471

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with J098-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J098-0157?
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What is the minimum amount of J098-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J098-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J098-0157
  • 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 J098-0157 available by request