V009-2008 Screening compound: 1-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-1-(1-phenylethyl)-3-(propan-2-yl)thiourea
Chemical Structure Depiction of ChemDiv screening compound V009-2008
1-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-1-(1-phenylethyl)-3-(propan-2-yl)thiourea
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
V009-2008
Molecular Formula
C31H40N6O3S (C31 H40 N6 O3 S)
Compound Name
1-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-1-(1-phenylethyl)-3-(propan-2-yl)thiourea
IUPAC name
1-(2-{4-[6-(24-dimethoxyphenyl)pyridazin-3-yl]-14-diazepan-1-yl}-2-oxoethyl)-1-(1-phenylethyl)-3-(propan-2-yl)thiourea
SMILES
CC(C)NC(N(CC(N(CCC1)CCN1c(cc1)nnc1-c(ccc(OC)c1)c1OC)=O)C(C)c1ccccc1)=S
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
576.76
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
12.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
4.794
Distribution Coefficient, logD
4.789
Water Solubility, LogSw
-4.54
Polar Surface Area
66.453
Acid Dissociation Constant (pKa)
18.59
Base Dissociation Constant (pKb)
5.43
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
41.90
References: we are preparing a list of scientific research reports with V009-2008 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)