V004-0873 Screening compound: (4-{5-[(4-benzylpiperidino)sulfonyl]-2-methoxyphenyl}piperazino)(cyclopropyl)methanone
Chemical Structure Depiction of ChemDiv screening compound V004-0873
(4-{5-[(4-benzylpiperidino)sulfonyl]-2-methoxyphenyl}piperazino)(cyclopropyl)methanone
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
V004-0873
Molecular Formula
C27H35N3O4S (C27 H35 N3 O4 S)
Compound Name
(4-{5-[(4-benzylpiperidino)sulfonyl]-2-methoxyphenyl}piperazino)(cyclopropyl)methanone
IUPAC name
1-{5-[(4-benzylpiperidin-1-yl)sulfonyl]-2-methoxyphenyl}-4-cyclopropanecarbonylpiperazine
SMILES
COc(ccc(S(N1CCC(Cc2ccccc2)CC1)(=O)=O)c1)c1N(CC1)CCN1C(C1CC1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
497.66
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
4.819
Distribution Coefficient, logD
4.819
Water Solubility, LogSw
-4.78
Polar Surface Area
59.439
Acid Dissociation Constant (pKa)
22.91
Base Dissociation Constant (pKb)
4.64
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
51.85
V004-0873 in Drug Discovery
Included in Screening Libraries
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with V004-0873 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of V004-0873, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
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)