8014-1535 Screening compound: N-{5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl}-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

8014-1535 Screening compound: N-{5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl}-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
8014-1535 Screening compound: N-{5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl}-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1535
N-{5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl}-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-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

8014-1535

Molecular Formula

C22H18Cl2N6OS2 (C22 H18 Cl2 N6 OS2)

Compound Name

N-{5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl}-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

N-{5-[(25-dichlorophenyl)methyl]-13-thiazol-2-yl}-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

C=CCn1c(SCC(Nc2ncc(Cc(cc(cc3)Cl)c3Cl)s2)=O)nnc1-c1ccncc1

InChI

InChI=1S/C22H18Cl2N6OS2/c1-2-9-30-20(14-5-7-25-8-6-14)28-29-22(30)32-13-19(31)27-21-26-12-17(33-21)11-15-10-16(23)3-4-18(15)24/h2-8,10,12H,1,9,11,13H2,(H,26,27,31)

InChI Key

RJQGTGWJMACODH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.530

Distribution Coefficient, logD

5.527

Water Solubility, LogSw

-6.01

Polar Surface Area

67.093

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

8014-1535 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8014-1535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1535?
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What is the minimum amount of 8014-1535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1535
  • 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 8014-1535 available by request