J019-0823 Screening compound: 5-(N-benzylmethanesulfonamido)-N-[(oxolan-2-yl)methyl]-1-benzothiophene-2-carboxamide

J019-0823 Screening compound: 5-(N-benzylmethanesulfonamido)-N-[(oxolan-2-yl)methyl]-1-benzothiophene-2-carboxamide
J019-0823 Screening compound: 5-(N-benzylmethanesulfonamido)-N-[(oxolan-2-yl)methyl]-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J019-0823
5-(N-benzylmethanesulfonamido)-N-[(oxolan-2-yl)methyl]-1-benzothiophene-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

J019-0823

Molecular Formula

C22H24N2O4S2 (C22 H24 N2 O4 S2)

Compound Name

5-(N-benzylmethanesulfonamido)-N-[(oxolan-2-yl)methyl]-1-benzothiophene-2-carboxamide

IUPAC name

5-(N-benzylmethanesulfonamido)-N-[(oxolan-2-yl)methyl]-1-benzothiophene-2-carboxamide

SMILES

CS(N(Cc1ccccc1)c(cc1)cc2c1sc(C(NCC1OCCC1)=O)c2)(=O)=O

InChI

InChI=1S/C22H24N2O4S2/c1-30(26,27)24(15-16-6-3-2-4-7-16)18-9-10-20-17(12-18)13-21(29-20)22(25)23-14-19-8-5-11-28-19/h2-4,6-7,9-10,12-13,19H,5,8,11,14-15H2,1H3,(H,23,25)/t19-/m1/s1

InChI Key

VWXNYPPMZOQIIS-LJQANCHMSA-N

MDL Number (MFCD)

MFCD27218286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.219

Distribution Coefficient, logD

3.219

Water Solubility, LogSw

-3.60

Polar Surface Area

65.371

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

J019-0823 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with J019-0823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J019-0823?
Check Price and Availability of J019-0823, 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 J019-0823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J019-0823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J019-0823
  • 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 J019-0823 available by request