V013-6200 Screening compound: 2-cyclopropyl-4-piperidino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidine
Chemical Structure Depiction of ChemDiv screening compound V013-6200
2-cyclopropyl-4-piperidino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[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
V013-6200
Molecular Formula
C19H25N3S (C19 H25 N3 S)
Compound Name
2-cyclopropyl-4-piperidino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidine
IUPAC name
5-cyclopropyl-3-(piperidin-1-yl)-8-thia-46-diazatricyclo[7.5.0.0^{27}]tetradeca-1(9)2(7)35-tetraene
SMILES
C(C1)C1c1nc(N2CCCCC2)c(c(CCCCC2)c2s2)c2n1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
327.49
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
6.029
Distribution Coefficient, logD
4.304
Water Solubility, LogSw
-5.98
Polar Surface Area
23.803
Acid Dissociation Constant (pKa)
21.95
Base Dissociation Constant (pKb)
9.12
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
68.40
V013-6200 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)
Ion Channels Focused Library (26372 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Nervous system
- Cardiovascular
- Kinases
- Ion Channels
References: we are preparing a list of scientific research reports with V013-6200 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)