3254-1409 Screening compound: 2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(phenylcarbamothioyl)amino]acetamide

3254-1409 Screening compound: 2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(phenylcarbamothioyl)amino]acetamide
3254-1409 Screening compound: 2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(phenylcarbamothioyl)amino]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-1409
2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(phenylcarbamothioyl)amino]acetamide

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

3254-1409

Molecular Formula

C24H21ClN6OS2 (C24 H21 ClN6 OS2)

Compound Name

2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(phenylcarbamothioyl)amino]acetamide

IUPAC name

2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}-N-[(phenylcarbamothioyl)amino]acetamide

SMILES

Cc(cc1)ccc1-n1c(SCC(NNC(Nc2ccccc2)=S)=O)nnc1-c(cc1)ccc1Cl

InChI

InChI=1S/C24H21ClN6OS2/c1-16-7-13-20(14-8-16)31-22(17-9-11-18(25)12-10-17)28-30-24(31)34-15-21(32)27-29-23(33)26-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H,27,32)(H2,26,29,33)

InChI Key

IDSFUUFJYKBKGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03221080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.06

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.085

Distribution Coefficient, logD

5.082

Water Solubility, LogSw

-5.43

Polar Surface Area

71.698

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

3254-1409 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 3254-1409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-1409?
Check Price and Availability of 3254-1409, 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 3254-1409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-1409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-1409
  • 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 3254-1409 available by request