V020-9249 Screening compound: 2-({[2-(3,4-dimethoxyphenyl)ethyl][(2-fluorophenyl)methyl]amino}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1,3-thiazole-4-carboxamide
Chemical Structure Depiction of ChemDiv screening compound V020-9249
2-({[2-(3,4-dimethoxyphenyl)ethyl][(2-fluorophenyl)methyl]amino}methyl)-N-{[3-(trifluoromethyl)phenyl]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
V020-9249
Molecular Formula
C30H29F4N3O3S (C30 H29 F4 N3 O3 S)
Compound Name
2-({[2-(3,4-dimethoxyphenyl)ethyl][(2-fluorophenyl)methyl]amino}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1,3-thiazole-4-carboxamide
IUPAC name
2-({[2-(34-dimethoxyphenyl)ethyl][(2-fluorophenyl)methyl]amino}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-13-thiazole-4-carboxamide
SMILES
COc(ccc(CCN(Cc1nc(C(NCc2cc(C(F)(F)F)ccc2)=O)cs1)Cc(cccc1)c1F)c1)c1OC
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
587.64
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
14.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
5.951
Distribution Coefficient, logD
5.951
Water Solubility, LogSw
-5.68
Polar Surface Area
53.832
Acid Dissociation Constant (pKa)
12.49
Base Dissociation Constant (pKb)
3.10
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
26.67
V020-9249 in Drug Discovery
Included in Screening Libraries
Regenerative Medicine Focused Library (23016 compounds)
Antibacterial Compounds Library (13827 compounds)
Included in 1.7M Stock Database
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
- Infections
- Immune system
- animal
References: we are preparing a list of scientific research reports with V020-9249 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)