V009-3937 Screening compound: [(4-tert-butylphenyl)methyl](3,3-diphenylpropyl){[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl}amine
Chemical Structure Depiction of ChemDiv screening compound V009-3937
[(4-tert-butylphenyl)methyl](3,3-diphenylpropyl){[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl}amine
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
V009-3937
Molecular Formula
C37H46N4OS (C37 H46 N4 OS)
Compound Name
[(4-tert-butylphenyl)methyl](3,3-diphenylpropyl){[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl}amine
IUPAC name
[(4-tert-butylphenyl)methyl](33-diphenylpropyl){[4-(4-ethylpiperazine-1-carbonyl)-13-thiazol-2-yl]methyl}amine
SMILES
CCN(CC1)CCN1C(c1csc(CN(CCC(c2ccccc2)c2ccccc2)Cc2ccc(C(C)(C)C)cc2)n1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
594.86
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
13.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
7.576
Distribution Coefficient, logD
7.398
Water Solubility, LogSw
-5.71
Polar Surface Area
34.071
Acid Dissociation Constant (pKa)
24.26
Base Dissociation Constant (pKb)
7.10
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
40.50
V009-3937 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
GPCR Targeted Library (31838 compounds)
KRAS-Targeted Library (16000 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- GPCR
- Kinases
- Receptor's ligands
References: we are preparing a list of scientific research reports with V009-3937 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)