G535-0059 Screening compound: 3-{[1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridin-2(1H)-yl]methyl}benzonitrile

G535-0059 Screening compound: 3-{[1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridin-2(1H)-yl]methyl}benzonitrile
G535-0059 Screening compound: 3-{[1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridin-2(1H)-yl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound G535-0059
3-{[1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridin-2(1H)-yl]methyl}benzonitrile

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

G535-0059

Molecular Formula

C25H24N2S (C25 H24 N2 S)

Compound Name

3-{[1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridin-2(1H)-yl]methyl}benzonitrile

IUPAC name

3-({6-phenyl-8-thia-5-azatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-dien-5-yl}methyl)benzonitrile

SMILES

N#Cc1cccc(CN(CCc2c3sc4c2CCCC4)C3c2ccccc2)c1

InChI

InChI=1S/C25H24N2S/c26-16-18-7-6-8-19(15-18)17-27-14-13-22-21-11-4-5-12-23(21)28-25(22)24(27)20-9-2-1-3-10-20/h1-3,6-10,15,24H,4-5,11-14,17H2/t24-/m1/s1

InChI Key

ZOUUWIFOGNYIFF-XMMPIXPASA-N

MDL Number (MFCD)

MFCD15017009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.55

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.050

Distribution Coefficient, logD

5.245

Water Solubility, LogSw

-6.23

Polar Surface Area

21.106

Acid Dissociation Constant (pKa)

24.86

Base Dissociation Constant (pKb)

8.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

G535-0059 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

BRD4 Targeted Library (4534 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Agro:
  • Agro
Targets:
  • Others
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G535-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G535-0059?
Check Price and Availability of G535-0059, 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 G535-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G535-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G535-0059
  • 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 G535-0059 available by request