V014-1696 Screening compound: 2-cyclohexyl-4-(1-pyrrolidinyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

V014-1696 Screening compound: 2-cyclohexyl-4-(1-pyrrolidinyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
V014-1696 Screening compound: 2-cyclohexyl-4-(1-pyrrolidinyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-1696
2-cyclohexyl-4-(1-pyrrolidinyl)-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

V014-1696

Molecular Formula

C20H27N3S (C20 H27 N3 S)

Compound Name

2-cyclohexyl-4-(1-pyrrolidinyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

IUPAC name

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

SMILES

C(CC1)CN1c1c(c(CCCC2)c2s2)c2nc(C2CCCCC2)n1

InChI

InChI=1S/C20H27N3S/c1-2-8-14(9-3-1)18-21-19(23-12-6-7-13-23)17-15-10-4-5-11-16(15)24-20(17)22-18/h14H,1-13H2

InChI Key

CVCAOFXFLIKEFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19852561

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

341.52

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

6.319

Distribution Coefficient, logD

5.652

Water Solubility, LogSw

-6.00

Polar Surface Area

23.507

Acid Dissociation Constant (pKa)

21.17

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.00

V014-1696 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V014-1696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-1696?
Check Price and Availability of V014-1696, 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 V014-1696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-1696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-1696
  • 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 V014-1696 available by request