G226-0035 Screening compound: methyl 3-{[4-(trifluoromethoxy)phenyl]sulfamoyl}-1-benzothiophene-2-carboxylate

G226-0035 Screening compound: methyl 3-{[4-(trifluoromethoxy)phenyl]sulfamoyl}-1-benzothiophene-2-carboxylate
G226-0035 Screening compound: methyl 3-{[4-(trifluoromethoxy)phenyl]sulfamoyl}-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G226-0035
methyl 3-{[4-(trifluoromethoxy)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

G226-0035

Molecular Formula

C17H12F3NO5S2 (C17 H12 F3 NO5 S2)

Compound Name

methyl 3-{[4-(trifluoromethoxy)phenyl]sulfamoyl}-1-benzothiophene-2-carboxylate

IUPAC name

methyl 3-{[4-(trifluoromethoxy)phenyl]sulfamoyl}-1-benzothiophene-2-carboxylate

SMILES

COC(c(sc1c2cccc1)c2S(Nc(cc1)ccc1OC(F)(F)F)(=O)=O)=O

InChI

InChI=1S/C17H12F3NO5S2/c1-25-16(22)14-15(12-4-2-3-5-13(12)27-14)28(23,24)21-10-6-8-11(9-7-10)26-17(18,19)20/h2-9,21H,1H3

InChI Key

HECUCDOXPRZTOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08140876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.975

Distribution Coefficient, logD

4.919

Water Solubility, LogSw

-4.90

Polar Surface Area

68.745

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

-7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

G226-0035 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G226-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G226-0035?
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What is the minimum amount of G226-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G226-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G226-0035
  • 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 G226-0035 available by request