G226-0534 Screening compound: methyl 4-fluoro-3-{[(pyridin-2-yl)methyl]sulfamoyl}-1-benzothiophene-2-carboxylate

G226-0534 Screening compound: methyl 4-fluoro-3-{[(pyridin-2-yl)methyl]sulfamoyl}-1-benzothiophene-2-carboxylate
G226-0534 Screening compound: methyl 4-fluoro-3-{[(pyridin-2-yl)methyl]sulfamoyl}-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G226-0534
methyl 4-fluoro-3-{[(pyridin-2-yl)methyl]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

G226-0534

Molecular Formula

C16H13FN2O4S2 (C16 H13 FN2 O4 S2)

Compound Name

methyl 4-fluoro-3-{[(pyridin-2-yl)methyl]sulfamoyl}-1-benzothiophene-2-carboxylate

IUPAC name

methyl 4-fluoro-3-{[(pyridin-2-yl)methyl]sulfamoyl}-1-benzothiophene-2-carboxylate

SMILES

COC(c(sc1cccc(F)c11)c1S(NCc1ncccc1)(=O)=O)=O

InChI

InChI=1S/C16H13FN2O4S2/c1-23-16(20)14-15(13-11(17)6-4-7-12(13)24-14)25(21,22)19-9-10-5-2-3-8-18-10/h2-8,19H,9H2,1H3

InChI Key

HPWIAADDYNNLJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09248944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.591

Distribution Coefficient, logD

2.581

Water Solubility, LogSw

-3.05

Polar Surface Area

73.460

Acid Dissociation Constant (pKa)

9.29

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

G226-0534 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G226-0534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G226-0534?
Check Price and Availability of G226-0534, 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 G226-0534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G226-0534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G226-0534
  • 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 G226-0534 available by request