C200-5375 Screening compound: 5-[1-(4-methylbenzenesulfonyl)piperidin-4-yl]-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol

C200-5375 Screening compound: 5-[1-(4-methylbenzenesulfonyl)piperidin-4-yl]-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
C200-5375 Screening compound: 5-[1-(4-methylbenzenesulfonyl)piperidin-4-yl]-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-5375
5-[1-(4-methylbenzenesulfonyl)piperidin-4-yl]-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol

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

C200-5375

Molecular Formula

C21H24N4O2S2 (C21 H24 N4 O2 S2)

Compound Name

5-[1-(4-methylbenzenesulfonyl)piperidin-4-yl]-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol

IUPAC name

5-[1-(4-methylbenzenesulfonyl)piperidin-4-yl]-4-(4-methylphenyl)-4H-124-triazole-3-thiol

SMILES

Cc(cc1)ccc1-n1c(S)nnc1C(CC1)CCN1S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C21H24N4O2S2/c1-15-3-7-18(8-4-15)25-20(22-23-21(25)28)17-11-13-24(14-12-17)29(26,27)19-9-5-16(2)6-10-19/h3-10,17H,11-14H2,1-2H3,(H,23,28)

InChI Key

PMJVBOVNPUORDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.997

Distribution Coefficient, logD

2.738

Water Solubility, LogSw

-3.98

Polar Surface Area

55.169

Acid Dissociation Constant (pKa)

6.17

Base Dissociation Constant (pKb)

2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C200-5375 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Anti-HIV1 Library (19540 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C200-5375 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-5375?
Check Price and Availability of C200-5375, 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 C200-5375 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-5375
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-5375
  • 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 C200-5375 available by request