5492-3214 Screening compound: 4-(diphenylmethyl)-N-(prop-2-en-1-yl)piperazine-1-carbothioamide

5492-3214 Screening compound: 4-(diphenylmethyl)-N-(prop-2-en-1-yl)piperazine-1-carbothioamide
5492-3214 Screening compound: 4-(diphenylmethyl)-N-(prop-2-en-1-yl)piperazine-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5492-3214
4-(diphenylmethyl)-N-(prop-2-en-1-yl)piperazine-1-carbothioamide

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

5492-3214

Molecular Formula

C21H25N3S (C21 H25 N3 S)

Compound Name

4-(diphenylmethyl)-N-(prop-2-en-1-yl)piperazine-1-carbothioamide

IUPAC name

4-(diphenylmethyl)-N-(prop-2-en-1-yl)piperazine-1-carbothioamide

SMILES

C=CCNC(N(CC1)CCN1C(c1ccccc1)c1ccccc1)=S

InChI

InChI=1S/C21H25N3S/c1-2-13-22-21(25)24-16-14-23(15-17-24)20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h2-12,20H,1,13-17H2,(H,22,25)

InChI Key

VPIMVLWWHONAGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02827996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.170

Distribution Coefficient, logD

4.090

Water Solubility, LogSw

-4.18

Polar Surface Area

15.133

Acid Dissociation Constant (pKa)

16.23

Base Dissociation Constant (pKb)

6.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

5492-3214 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 5492-3214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5492-3214?
Check Price and Availability of 5492-3214, 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 5492-3214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5492-3214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5492-3214
  • 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 5492-3214 available by request