K401-0804 Screening compound: N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[5-(2-phenylacetamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide

K401-0804 Screening compound: N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[5-(2-phenylacetamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide
K401-0804 Screening compound: N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[5-(2-phenylacetamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K401-0804
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[5-(2-phenylacetamido)-1,3,4-thiadiazol-2-yl]sulfanyl}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

K401-0804

Molecular Formula

C16H16N6O2S4 (C16 H16 N6 O2 S4)

Compound Name

N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[5-(2-phenylacetamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide

IUPAC name

N-[5-(ethylsulfanyl)-134-thiadiazol-2-yl]-2-{[5-(2-phenylacetamido)-134-thiadiazol-2-yl]sulfanyl}acetamide

SMILES

CCSc1nnc(NC(CSc2nnc(NC(Cc3ccccc3)=O)s2)=O)s1

InChI

InChI=1S/C16H16N6O2S4/c1-2-25-15-21-20-14(27-15)18-12(24)9-26-16-22-19-13(28-16)17-11(23)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,17,19,23)(H,18,20,24)

InChI Key

USYFFZPEQZWZDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01933793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.020

Distribution Coefficient, logD

4.014

Water Solubility, LogSw

-4.01

Polar Surface Area

91.806

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

-3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K401-0804 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Autophagy-Targeted Library (4564 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with K401-0804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K401-0804?
Check Price and Availability of K401-0804, 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 K401-0804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K401-0804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K401-0804
  • 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 K401-0804 available by request