G226-0639 Screening compound: methyl 3-{[3-(methylsulfanyl)phenyl]sulfamoyl}-1-benzothiophene-2-carboxylate

G226-0639 Screening compound: methyl 3-{[3-(methylsulfanyl)phenyl]sulfamoyl}-1-benzothiophene-2-carboxylate
G226-0639 Screening compound: methyl 3-{[3-(methylsulfanyl)phenyl]sulfamoyl}-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G226-0639
methyl 3-{[3-(methylsulfanyl)phenyl]sulfamoyl}-1-benzothiophene-2-carboxylate

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

G226-0639

Molecular Formula

C17H15NO4S3 (C17 H15 NO4 S3)

Compound Name

methyl 3-{[3-(methylsulfanyl)phenyl]sulfamoyl}-1-benzothiophene-2-carboxylate

IUPAC name

methyl 3-{[3-(methylsulfanyl)phenyl]sulfamoyl}-1-benzothiophene-2-carboxylate

SMILES

COC(c(sc1c2cccc1)c2S(Nc1cc(SC)ccc1)(=O)=O)=O

InChI

InChI=1S/C17H15NO4S3/c1-22-17(19)15-16(13-8-3-4-9-14(13)24-15)25(20,21)18-11-6-5-7-12(10-11)23-2/h3-10,18H,1-2H3

InChI Key

IFCXYMMELSCUDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08540038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.211

Distribution Coefficient, logD

4.170

Water Solubility, LogSw

-4.45

Polar Surface Area

62.809

Acid Dissociation Constant (pKa)

8.40

Base Dissociation Constant (pKb)

-8.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

G226-0639 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G226-0639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G226-0639?
Check Price and Availability of G226-0639, 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 G226-0639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G226-0639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G226-0639
  • 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 G226-0639 available by request