G856-5951 Screening compound: methyl 6-methyl-2-[3-(trifluoromethyl)benzamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate

G856-5951 Screening compound: methyl 6-methyl-2-[3-(trifluoromethyl)benzamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate
G856-5951 Screening compound: methyl 6-methyl-2-[3-(trifluoromethyl)benzamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-5951
methyl 6-methyl-2-[3-(trifluoromethyl)benzamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-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

G856-5951

Molecular Formula

C18H17F3N2O3S (C18 H17 F3 N2 O3 S)

Compound Name

methyl 6-methyl-2-[3-(trifluoromethyl)benzamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate

IUPAC name

methyl 6-methyl-2-[3-(trifluoromethyl)benzamido]-4H5H6H7H-thieno[23-c]pyridine-3-carboxylate

SMILES

CN(CC1)Cc2c1c(C(OC)=O)c(NC(c1cc(C(F)(F)F)ccc1)=O)s2

InChI

InChI=1S/C18H17F3N2O3S/c1-23-7-6-12-13(9-23)27-16(14(12)17(25)26-2)22-15(24)10-4-3-5-11(8-10)18(19,20)21/h3-5,8H,6-7,9H2,1-2H3,(H,22,24)

InChI Key

FOGAOTPPFNXIKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11983985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.211

Distribution Coefficient, logD

-1.487

Water Solubility, LogSw

-3.71

Polar Surface Area

47.628

Acid Dissociation Constant (pKa)

3.21

Base Dissociation Constant (pKb)

6.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G856-5951 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with G856-5951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-5951?
Check Price and Availability of G856-5951, 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 G856-5951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-5951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-5951
  • 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 G856-5951 available by request