V001-5442 Screening compound: cyclobutyl[4-(2-cyclohexyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino]methanone

V001-5442 Screening compound: cyclobutyl[4-(2-cyclohexyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino]methanone
V001-5442 Screening compound: cyclobutyl[4-(2-cyclohexyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-5442
cyclobutyl[4-(2-cyclohexyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino]methanone

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

V001-5442

Molecular Formula

C26H36N4OS (C26 H36 N4 OS)

Compound Name

cyclobutyl[4-(2-cyclohexyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino]methanone

IUPAC name

3-(4-cyclobutanecarbonylpiperazin-1-yl)-5-cyclohexyl-8-thia-46-diazatricyclo[7.5.0.0^{27}]tetradeca-1(9)2(7)35-tetraene

SMILES

O=C(C1CCC1)N(CC1)CCN1c1c(c(CCCCC2)c2s2)c2nc(C2CCCCC2)n1

InChI

InChI=1S/C26H36N4OS/c31-26(19-10-7-11-19)30-16-14-29(15-17-30)24-22-20-12-5-2-6-13-21(20)32-25(22)28-23(27-24)18-8-3-1-4-9-18/h18-19H,1-17H2

InChI Key

XVVVBSCLRRLQLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19852403

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

452.66

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.338

Distribution Coefficient, logD

5.671

Water Solubility, LogSw

-5.73

Polar Surface Area

40.451

Acid Dissociation Constant (pKa)

22.62

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.10

V001-5442 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V001-5442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-5442?
Check Price and Availability of V001-5442, 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 V001-5442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-5442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-5442
  • 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 V001-5442 available by request