V011-0326 Screening compound: ethyl 1-[4-(3-chloro-2,2-dimethylpropanamido)-2-[(1-phenylethyl)sulfamoyl]phenyl]piperidine-3-carboxylate

V011-0326 Screening compound: ethyl 1-[4-(3-chloro-2,2-dimethylpropanamido)-2-[(1-phenylethyl)sulfamoyl]phenyl]piperidine-3-carboxylate
V011-0326 Screening compound: ethyl 1-[4-(3-chloro-2,2-dimethylpropanamido)-2-[(1-phenylethyl)sulfamoyl]phenyl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-0326
ethyl 1-[4-(3-chloro-2,2-dimethylpropanamido)-2-[(1-phenylethyl)sulfamoyl]phenyl]piperidine-3-carboxylate

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

V011-0326

Molecular Formula

C27H36ClN3O5S (C27 H36 ClN3 O5 S)

Compound Name

ethyl 1-[4-(3-chloro-2,2-dimethylpropanamido)-2-[(1-phenylethyl)sulfamoyl]phenyl]piperidine-3-carboxylate

IUPAC name

ethyl 1-[4-(3-chloro-22-dimethylpropanamido)-2-[(1-phenylethyl)sulfamoyl]phenyl]piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1c(ccc(NC(C(C)(C)CCl)=O)c1)c1S(NC(C)c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C27H36ClN3O5S/c1-5-36-25(32)21-12-9-15-31(17-21)23-14-13-22(29-26(33)27(3,4)18-28)16-24(23)37(34,35)30-19(2)20-10-7-6-8-11-20/h6-8,10-11,13-14,16,19,21,30H,5,9,12,15,17-18H2,1-4H3,(H,29,33)

InChI Key

MWEKLMFPIZGPRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19972685

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

550.12

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.060

Distribution Coefficient, logD

5.059

Water Solubility, LogSw

-4.68

Polar Surface Area

88.575

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.10

V011-0326 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V011-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-0326?
Check Price and Availability of V011-0326, 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.
What is the minimum amount of V011-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-0326
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V011-0326 available by request