4435-0186 Screening compound: 7-phenyl-4-piperidino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-7-yl cyanide

4435-0186 Screening compound: 7-phenyl-4-piperidino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-7-yl cyanide
4435-0186 Screening compound: 7-phenyl-4-piperidino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-7-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4435-0186
7-phenyl-4-piperidino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-7-yl cyanide

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

4435-0186

Molecular Formula

C22H22N4S (C22 H22 N4 S)

Compound Name

7-phenyl-4-piperidino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-7-yl cyanide

IUPAC name

11-phenyl-3-(piperidin-1-yl)-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraene-11-carbonitrile

SMILES

N#CC(CC1)(Cc2c1c1c(N3CCCCC3)ncnc1s2)c1ccccc1

InChI

InChI=1S/C22H22N4S/c23-14-22(16-7-3-1-4-8-16)10-9-17-18(13-22)27-21-19(17)20(24-15-25-21)26-11-5-2-6-12-26/h1,3-4,7-8,15H,2,5-6,9-13H2/t22-/m1/s1

InChI Key

QEHVYEYGVKNYEY-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD03408341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.252

Distribution Coefficient, logD

5.241

Water Solubility, LogSw

-5.57

Polar Surface Area

41.244

Acid Dissociation Constant (pKa)

20.15

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

4435-0186 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4435-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4435-0186?
Check Price and Availability of 4435-0186, 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 4435-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4435-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4435-0186
  • 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 4435-0186 available by request