4514-1715 Screening compound: 1'-(4-Chloro-phenylthiocarbamoyl)-[1,4']bipiperidinyl-4'-carboxylic acid amide

4514-1715 Screening compound: 1'-(4-Chloro-phenylthiocarbamoyl)-[1,4']bipiperidinyl-4'-carboxylic acid amide
4514-1715 Screening compound: 1'-(4-Chloro-phenylthiocarbamoyl)-[1,4']bipiperidinyl-4'-carboxylic acid amide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4514-1715
1'-(4-Chloro-phenylthiocarbamoyl)-[1,4']bipiperidinyl-4'-carboxylic acid amide

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

4514-1715

Molecular Formula

C18H25ClN4OS (C18 H25 ClN4 OS)

Compound Name

1'-(4-Chloro-phenylthiocarbamoyl)-[1,4']bipiperidinyl-4'-carboxylic acid amide

IUPAC name

1'-[(4-chlorophenyl)carbamothioyl]-[14'-bipiperidine]-4'-carboxamide

SMILES

NC(C(CC1)(CCN1C(Nc(cc1)ccc1Cl)=S)N1CCCCC1)=O

InChI

InChI=1S/C18H25ClN4OS/c19-14-4-6-15(7-5-14)21-17(25)22-12-8-18(9-13-22,16(20)24)23-10-2-1-3-11-23/h4-7H,1-3,8-13H2,(H2,20,24)(H,21,25)

InChI Key

XNAOOGKKFRWFSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02108494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.311

Distribution Coefficient, logD

2.500

Water Solubility, LogSw

-3.80

Polar Surface Area

48.272

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

8.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

4514-1715 in Drug Discovery

Included in Screening Libraries

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 4514-1715 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4514-1715?
Check Price and Availability of 4514-1715, 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 4514-1715 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4514-1715
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4514-1715
  • 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 4514-1715 available by request