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
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 Key
MDL Number (MFCD)
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
- Cancer
- Female
- Congenital
- Skin
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Kinases
- GPCR
- 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
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)