V003-6095 Screening compound: N-(butan-2-yl)-2-({[(4-tert-butylphenyl)methyl](3,3-diphenylpropyl)amino}methyl)-1,3-thiazole-4-carboxamide
Chemical Structure Depiction of ChemDiv screening compound V003-6095
N-(butan-2-yl)-2-({[(4-tert-butylphenyl)methyl](3,3-diphenylpropyl)amino}methyl)-1,3-thiazole-4-carboxamide
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
V003-6095
Molecular Formula
C35H43N3OS (C35 H43 N3 OS)
Compound Name
N-(butan-2-yl)-2-({[(4-tert-butylphenyl)methyl](3,3-diphenylpropyl)amino}methyl)-1,3-thiazole-4-carboxamide
IUPAC name
N-(butan-2-yl)-2-({[(4-tert-butylphenyl)methyl](33-diphenylpropyl)amino}methyl)-13-thiazole-4-carboxamide
SMILES
CCC(C)NC(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
553.81
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
14.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
8.152
Distribution Coefficient, logD
8.151
Water Solubility, LogSw
-5.81
Polar Surface Area
38.012
Acid Dissociation Constant (pKa)
15.22
Base Dissociation Constant (pKb)
4.24
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
37.10
V003-6095 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
DGK Inhibitors Library (10558 compounds)
KRAS-Targeted Library (16000 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Cancer
- Digestive system
- Hemic and lymphatic
- Skin
- Metabolic
- Immune system
- Eye
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Kinases
- GPCR
- Ion Channels
- Kinases
- Phosphatases
- Receptor's ligands
References: we are preparing a list of scientific research reports with V003-6095 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)