5867-3861 Screening compound: N-(3,5-di-tert-butylphenyl)-2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}acetamide

5867-3861 Screening compound: N-(3,5-di-tert-butylphenyl)-2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}acetamide
5867-3861 Screening compound: N-(3,5-di-tert-butylphenyl)-2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5867-3861
N-(3,5-di-tert-butylphenyl)-2-{[1,2,4]triazolo[4,3-a]pyridin-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

5867-3861

Molecular Formula

C22H28N4OS (C22 H28 N4 OS)

Compound Name

N-(3,5-di-tert-butylphenyl)-2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}acetamide

IUPAC name

N-(35-di-tert-butylphenyl)-2-{[124]triazolo[43-a]pyridin-3-ylsulfanyl}acetamide

SMILES

CC(C)(C)c1cc(NC(CSc2nnc3n2cccc3)=O)cc(C(C)(C)C)c1

InChI

InChI=1S/C22H28N4OS/c1-21(2,3)15-11-16(22(4,5)6)13-17(12-15)23-19(27)14-28-20-25-24-18-9-7-8-10-26(18)20/h7-13H,14H2,1-6H3,(H,23,27)

InChI Key

UKIRXJBWHCGPSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04092590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.922

Distribution Coefficient, logD

5.922

Water Solubility, LogSw

-5.51

Polar Surface Area

45.308

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

5867-3861 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5867-3861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5867-3861?
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What is the minimum amount of 5867-3861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5867-3861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5867-3861
  • 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 5867-3861 available by request