F235-1201 Screening compound: 1-{[3-(3,4-dimethoxyphenyl)-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}-4-piperidinecarboxamide

F235-1201 Screening compound: 1-{[3-(3,4-dimethoxyphenyl)-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}-4-piperidinecarboxamide
F235-1201 Screening compound: 1-{[3-(3,4-dimethoxyphenyl)-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F235-1201
1-{[3-(3,4-dimethoxyphenyl)-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}-4-piperidinecarboxamide

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

F235-1201

Molecular Formula

C23H27N5O3S (C23 H27 N5 O3 S)

Compound Name

1-{[3-(3,4-dimethoxyphenyl)-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}-4-piperidinecarboxamide

IUPAC name

1-{[3-(34-dimethoxyphenyl)-4-phenyl-5-sulfanylidene-45-dihydro-1H-124-triazol-1-yl]methyl}piperidine-4-carboxamide

SMILES

COc(ccc(C(N1c2ccccc2)=NN(CN(CC2)CCC2C(N)=O)C1=S)c1)c1OC

InChI

InChI=1S/C23H27N5O3S/c1-30-19-9-8-17(14-20(19)31-2)22-25-27(15-26-12-10-16(11-13-26)21(24)29)23(32)28(22)18-6-4-3-5-7-18/h3-9,14,16H,10-13,15H2,1-2H3,(H2,24,29)

InChI Key

DOHAHWWRIMONGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01207057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.127

Distribution Coefficient, logD

0.421

Water Solubility, LogSw

-2.71

Polar Surface Area

72.973

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

9.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.78

References: we are preparing a list of scientific research reports with F235-1201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F235-1201?
Check Price and Availability of F235-1201, 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 F235-1201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F235-1201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F235-1201
  • 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 F235-1201 available by request