V022-4241 Screening compound: 2-{[(2-hydroxypropyl)(propyl)amino]methyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of ChemDiv screening compound V022-4241
2-{[(2-hydroxypropyl)(propyl)amino]methyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
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
V022-4241
Molecular Formula
C18H27N3O2S (C18 H27 N3 O2 S)
Compound Name
2-{[(2-hydroxypropyl)(propyl)amino]methyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
IUPAC name
5-{[(2-hydroxypropyl)(propyl)amino]methyl}-11-methyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one
SMILES
CCCN(CC(C)O)CC(N1)=Nc(sc2c3CCC(C)C2)c3C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
349.5
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
2.689
Distribution Coefficient, logD
2.686
Water Solubility, LogSw
-2.91
Polar Surface Area
55.435
Acid Dissociation Constant (pKa)
10.38
Base Dissociation Constant (pKb)
5.17
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
66.70
V022-4241 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Anticancer Library (62698 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
Included in 1.7M Stock Database
- Cancer
References: we are preparing a list of scientific research reports with V022-4241 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)