V010-6771 Screening compound: N-[4-(4-methoxybenzamido)cyclohexyl]-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide
Chemical Structure Depiction of ChemDiv screening compound V010-6771
N-[4-(4-methoxybenzamido)cyclohexyl]-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-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
V010-6771
Molecular Formula
C27H30F3N3O4 (C27 H30 F3 N3 O4)
Compound Name
N-[4-(4-methoxybenzamido)cyclohexyl]-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide
IUPAC name
(2S)-N-[(1r4r)-4-(4-methoxybenzamido)cyclohexyl]-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide
SMILES
COc(cc1)ccc1C(N[C@H](CC1)CC[C@@H]1NC(C(CCC1)N1C(c1ccc(C(F)(F)F)cc1)=O)=O)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
517.55
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.696
Distribution Coefficient, logD
3.696
Water Solubility, LogSw
-3.92
Polar Surface Area
72.576
Acid Dissociation Constant (pKa)
14.47
Base Dissociation Constant (pKb)
1.44
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
44.40
V010-6771 in Drug Discovery
Included in Screening Libraries
3CLpro Library (4801 compounds)
Anticancer Library (62698 compounds)
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CORONAVIRUS Library (20774 compounds)
Macl-GPIb alpha Interaction Library (22969 compounds)
Serine Proteases Inhibitors Library (32732 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Cancer
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- Hemic and lymphatic
- Cardiovascular
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Proteases
References: we are preparing a list of scientific research reports with V010-6771 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)