8012-6813 Screening compound: 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

8012-6813 Screening compound: 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
8012-6813 Screening compound: 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-6813
2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)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

8012-6813

Molecular Formula

C12H11N7OS2 (C12 H11 N7 OS2)

Compound Name

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

IUPAC name

2-{[4-amino-5-(pyridin-3-yl)-4H-124-triazol-3-yl]sulfanyl}-N-(13-thiazol-2-yl)acetamide

SMILES

Nn1c(SCC(Nc2nccs2)=O)nnc1-c1cnccc1

InChI

InChI=1S/C12H11N7OS2/c13-19-10(8-2-1-3-14-6-8)17-18-12(19)22-7-9(20)16-11-15-4-5-21-11/h1-6H,7,13H2,(H,15,16,20)

InChI Key

WFMOOIWRRQFXLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03034615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.240

Distribution Coefficient, logD

0.232

Water Solubility, LogSw

-1.60

Polar Surface Area

85.285

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

8012-6813 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8012-6813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-6813?
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What is the minimum amount of 8012-6813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-6813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-6813
  • 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 8012-6813 available by request