G539-0849 Screening compound: N~2~-(2,4-difluorophenyl)-1-(4-fluorophenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridine-2(1H)-carboxamide

G539-0849 Screening compound: N~2~-(2,4-difluorophenyl)-1-(4-fluorophenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridine-2(1H)-carboxamide
G539-0849 Screening compound: N~2~-(2,4-difluorophenyl)-1-(4-fluorophenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridine-2(1H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G539-0849
N~2~-(2,4-difluorophenyl)-1-(4-fluorophenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridine-2(1H)-carboxamide

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

G539-0849

Molecular Formula

C24H21F3N2OS (C24 H21 F3 N2 OS)

Compound Name

N~2~-(2,4-difluorophenyl)-1-(4-fluorophenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridine-2(1H)-carboxamide

IUPAC name

N-(24-difluorophenyl)-6-(4-fluorophenyl)-8-thia-5-azatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-diene-5-carboxamide

SMILES

O=C(Nc(ccc(F)c1)c1F)N(CCc1c2sc3c1CCCC3)C2c(cc1)ccc1F

InChI

InChI=1S/C24H21F3N2OS/c25-15-7-5-14(6-8-15)22-23-18(17-3-1-2-4-21(17)31-23)11-12-29(22)24(30)28-20-10-9-16(26)13-19(20)27/h5-10,13,22H,1-4,11-12H2,(H,28,30)/t22-/m1/s1

InChI Key

LKNXSPYYUKRCCK-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD15017439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.5

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.704

Distribution Coefficient, logD

6.703

Water Solubility, LogSw

-6.07

Polar Surface Area

24.923

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

-3.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

G539-0849 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G539-0849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G539-0849?
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What is the minimum amount of G539-0849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G539-0849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G539-0849
  • 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 G539-0849 available by request