6703-0853 Screening compound: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(cyanosulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylate

6703-0853 Screening compound: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(cyanosulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylate
6703-0853 Screening compound: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(cyanosulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6703-0853
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(cyanosulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylate

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

6703-0853

Molecular Formula

C9H9N7O3S (C9 H9 N7 O3 S)

Compound Name

ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(cyanosulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylate

IUPAC name

ethyl 1-(4-amino-125-oxadiazol-3-yl)-5-[(cyanosulfanyl)methyl]-1H-123-triazole-4-carboxylate

SMILES

CCOC(c1c(CSC#N)n(-c2nonc2N)nn1)=O

InChI

InChI=1S/C9H9N7O3S/c1-2-18-9(17)6-5(3-20-4-10)16(15-12-6)8-7(11)13-19-14-8/h2-3H2,1H3,(H2,11,13)

InChI Key

PTYBIUSKHLXFSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01240833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.28

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.593

Distribution Coefficient, logD

0.593

Water Solubility, LogSw

-0.98

Polar Surface Area

121.390

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

6703-0853 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6703-0853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6703-0853?
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What is the minimum amount of 6703-0853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6703-0853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6703-0853
  • 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 6703-0853 available by request