J019-0436 Screening compound: methyl 4-[5-(N-methyl4-methylbenzenesulfonamido)-1-benzothiophene-2-amido]benzoate

J019-0436 Screening compound: methyl 4-[5-(N-methyl4-methylbenzenesulfonamido)-1-benzothiophene-2-amido]benzoate
J019-0436 Screening compound: methyl 4-[5-(N-methyl4-methylbenzenesulfonamido)-1-benzothiophene-2-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound J019-0436
methyl 4-[5-(N-methyl4-methylbenzenesulfonamido)-1-benzothiophene-2-amido]benzoate

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

J019-0436

Molecular Formula

C25H22N2O5S2 (C25 H22 N2 O5 S2)

Compound Name

methyl 4-[5-(N-methyl4-methylbenzenesulfonamido)-1-benzothiophene-2-amido]benzoate

IUPAC name

methyl 4-[5-(N-methyl4-methylbenzenesulfonamido)-1-benzothiophene-2-amido]benzoate

SMILES

Cc(cc1)ccc1S(N(C)c(cc1)cc2c1sc(C(Nc(cc1)ccc1C(OC)=O)=O)c2)(=O)=O

InChI

InChI=1S/C25H22N2O5S2/c1-16-4-11-21(12-5-16)34(30,31)27(2)20-10-13-22-18(14-20)15-23(33-22)24(28)26-19-8-6-17(7-9-19)25(29)32-3/h4-15H,1-3H3,(H,26,28)

InChI Key

BOIRUIONJBEHLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.959

Distribution Coefficient, logD

5.958

Water Solubility, LogSw

-5.81

Polar Surface Area

78.071

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

J019-0436 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 J019-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J019-0436?
Check Price and Availability of J019-0436, 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 J019-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J019-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J019-0436
  • 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 J019-0436 available by request