6850-0310 Screening compound: N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide

6850-0310 Screening compound: N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide
6850-0310 Screening compound: N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6850-0310
N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-(1H-1,2,4-triazol-3-ylsulfanyl)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

6850-0310

Molecular Formula

C16H18N6OS2 (C16 H18 N6 OS2)

Compound Name

N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide

IUPAC name

N-[5-(4-tert-butylphenyl)-124-thiadiazol-3-yl]-2-(1H-124-triazol-3-ylsulfanyl)acetamide

SMILES

CC(C)(C)c(cc1)ccc1-c1nc(NC(CSc2n[nH]cn2)=O)ns1

InChI

InChI=1S/C16H18N6OS2/c1-16(2,3)11-6-4-10(5-7-11)13-20-14(22-25-13)19-12(23)8-24-15-17-9-18-21-15/h4-7,9H,8H2,1-3H3,(H,17,18,21)(H,19,22,23)

InChI Key

DDRZCSBCGLPYGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.833

Distribution Coefficient, logD

3.827

Water Solubility, LogSw

-3.94

Polar Surface Area

79.222

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

6850-0310 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 6850-0310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6850-0310?
Check Price and Availability of 6850-0310, 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 6850-0310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6850-0310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6850-0310
  • 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 6850-0310 available by request