6220-1301 Screening compound: 1-[(4-methyl-3-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxamide

6220-1301 Screening compound: 1-[(4-methyl-3-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxamide
6220-1301 Screening compound: 1-[(4-methyl-3-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6220-1301
1-[(4-methyl-3-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxamide

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

6220-1301

Molecular Formula

C16H21N5OS (C16 H21 N5 OS)

Compound Name

1-[(4-methyl-3-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxamide

IUPAC name

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

SMILES

CN(C(c1ccccc1)=NN1CN(CC2)CCC2C(N)=O)C1=S

InChI

InChI=1S/C16H21N5OS/c1-19-15(13-5-3-2-4-6-13)18-21(16(19)23)11-20-9-7-12(8-10-20)14(17)22/h2-6,12H,7-11H2,1H3,(H2,17,22)

InChI Key

SHNAHIYKWBGIGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01117534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.181

Distribution Coefficient, logD

-2.145

Water Solubility, LogSw

-2.03

Polar Surface Area

58.361

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

10.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

References: we are preparing a list of scientific research reports with 6220-1301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6220-1301?
Check Price and Availability of 6220-1301, 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 6220-1301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6220-1301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6220-1301
  • 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 6220-1301 available by request