V017-3814 Screening compound: 2-cyclopropyl-4-piperidino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

V017-3814 Screening compound: 2-cyclopropyl-4-piperidino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
V017-3814 Screening compound: 2-cyclopropyl-4-piperidino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-3814
2-cyclopropyl-4-piperidino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

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

V017-3814

Molecular Formula

C18H23N3S (C18 H23 N3 S)

Compound Name

2-cyclopropyl-4-piperidino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

IUPAC name

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

SMILES

C(C1)C1c1nc(N2CCCCC2)c(c(CCCC2)c2s2)c2n1

InChI

InChI=1S/C18H23N3S/c1-4-10-21(11-5-1)17-15-13-6-2-3-7-14(13)22-18(15)20-16(19-17)12-8-9-12/h12H,1-11H2

InChI Key

IZTPBGDQUWKKEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10451322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.47

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.533

Distribution Coefficient, logD

3.969

Water Solubility, LogSw

-5.84

Polar Surface Area

23.472

Acid Dissociation Constant (pKa)

21.95

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

V017-3814 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 V017-3814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-3814?
Check Price and Availability of V017-3814, 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 V017-3814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-3814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-3814
  • 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 V017-3814 available by request