V009-2718 Screening compound: benzyl N-[1-(4-benzylpiperidin-1-yl)-6-heptanamido-1-oxohexan-2-yl]carbamate
Chemical Structure Depiction of ChemDiv screening compound V009-2718
benzyl N-[1-(4-benzylpiperidin-1-yl)-6-heptanamido-1-oxohexan-2-yl]carbamate
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
V009-2718
Molecular Formula
C33H47N3O4 (C33 H47 N3 O4)
Compound Name
benzyl N-[1-(4-benzylpiperidin-1-yl)-6-heptanamido-1-oxohexan-2-yl]carbamate
IUPAC name
benzyl N-[1-(4-benzylpiperidin-1-yl)-6-heptanamido-1-oxohexan-2-yl]carbamate
SMILES
CCCCCCC(NCCCCC(C(N1CCC(Cc2ccccc2)CC1)=O)NC(OCc1ccccc1)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
549.75
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
20.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
6.500
Distribution Coefficient, logD
6.500
Water Solubility, LogSw
-5.62
Polar Surface Area
73.700
Acid Dissociation Constant (pKa)
12.42
Base Dissociation Constant (pKb)
5.48
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
54.50
V009-2718 in Drug Discovery
Included in Screening Libraries
3CLpro Library (4801 compounds)
CORONAVIRUS Library (20774 compounds)
Regenerative Medicine Focused Library (23016 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
References: we are preparing a list of scientific research reports with V009-2718 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)