8017-7427 Screening compound: 2-{[5-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

8017-7427 Screening compound: 2-{[5-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
8017-7427 Screening compound: 2-{[5-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7427
2-{[5-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-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

8017-7427

Molecular Formula

C8H11N7O2S (C8 H11 N7 O2 S)

Compound Name

2-{[5-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

2-{[5-(4-amino-125-oxadiazol-3-yl)-4-ethyl-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

CCn1c(SCC(N)=O)nnc1-c1nonc1N

InChI

InChI=1S/C8H11N7O2S/c1-2-15-7(5-6(10)14-17-13-5)11-12-8(15)18-3-4(9)16/h2-3H2,1H3,(H2,9,16)(H2,10,14)

InChI Key

XRYMKCGHGBSVFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.163

Distribution Coefficient, logD

-0.163

Water Solubility, LogSw

-0.59

Polar Surface Area

114.710

Acid Dissociation Constant (pKa)

15.64

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

8017-7427 in Drug Discovery

Included in Screening Libraries

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

NOTUM (Wnt signaling) Library (3881 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8017-7427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7427?
Check Price and Availability of 8017-7427, 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 8017-7427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7427
  • 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 8017-7427 available by request