6850-0291 Screening compound: N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}sulfanyl)acetamide

6850-0291 Screening compound: N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}sulfanyl)acetamide
6850-0291 Screening compound: N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6850-0291
N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-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

6850-0291

Molecular Formula

C24H22N6OS3 (C24 H22 N6 OS3)

Compound Name

N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}sulfanyl)acetamide

IUPAC name

N-[5-(4-tert-butylphenyl)-124-thiadiazol-3-yl]-2-({5-phenyl-[124]triazolo[34-b][13]thiazol-3-yl}sulfanyl)acetamide

SMILES

CC(C)(C)c(cc1)ccc1-c1nc(NC(CSc2nnc3scc(-c4ccccc4)n23)=O)ns1

InChI

InChI=1S/C24H22N6OS3/c1-24(2,3)17-11-9-16(10-12-17)20-26-21(29-34-20)25-19(31)14-33-23-28-27-22-30(23)18(13-32-22)15-7-5-4-6-8-15/h4-13H,14H2,1-3H3,(H,25,29,31)

InChI Key

VJIAEDLGJVWRHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.68

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.645

Distribution Coefficient, logD

6.645

Water Solubility, LogSw

-5.81

Polar Surface Area

66.616

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

6850-0291 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6850-0291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6850-0291?
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What is the minimum amount of 6850-0291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6850-0291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6850-0291
  • 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 6850-0291 available by request