8012-4404 Screening compound: 4-benzyl-3-(4-methoxyphenyl)-1-[(4-phenylpiperidin-1-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione

8012-4404 Screening compound: 4-benzyl-3-(4-methoxyphenyl)-1-[(4-phenylpiperidin-1-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione
8012-4404 Screening compound: 4-benzyl-3-(4-methoxyphenyl)-1-[(4-phenylpiperidin-1-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4404
4-benzyl-3-(4-methoxyphenyl)-1-[(4-phenylpiperidin-1-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione

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

8012-4404

Molecular Formula

C28H30N4OS (C28 H30 N4 OS)

Compound Name

4-benzyl-3-(4-methoxyphenyl)-1-[(4-phenylpiperidin-1-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione

IUPAC name

4-benzyl-3-(4-methoxyphenyl)-1-[(4-phenylpiperidin-1-yl)methyl]-45-dihydro-1H-124-triazole-5-thione

SMILES

COc(cc1)ccc1C(N1Cc2ccccc2)=NN(CN(CC2)CCC2c2ccccc2)C1=S

InChI

InChI=1S/C28H30N4OS/c1-33-26-14-12-25(13-15-26)27-29-32(28(34)31(27)20-22-8-4-2-5-9-22)21-30-18-16-24(17-19-30)23-10-6-3-7-11-23/h2-15,24H,16-21H2,1H3

InChI Key

CONZTHYCZLBNRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01896100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.457

Distribution Coefficient, logD

4.554

Water Solubility, LogSw

-5.87

Polar Surface Area

31.537

Acid Dissociation Constant (pKa)

25.10

Base Dissociation Constant (pKb)

9.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 8012-4404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4404?
Check Price and Availability of 8012-4404, 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 8012-4404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4404
  • 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 8012-4404 available by request