3577-0086 Screening compound: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate

3577-0086 Screening compound: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
3577-0086 Screening compound: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3577-0086
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]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

3577-0086

Molecular Formula

C10H11N9O3S2 (C10 H11 N9 O3 S2)

Compound Name

ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate

IUPAC name

ethyl 1-(4-amino-125-oxadiazol-3-yl)-5-{[(5-amino-134-thiadiazol-2-yl)sulfanyl]methyl}-1H-123-triazole-4-carboxylate

SMILES

CCOC(c1c(CSc2nnc(N)s2)n(-c2nonc2N)nn1)=O

InChI

InChI=1S/C10H11N9O3S2/c1-2-21-8(20)5-4(3-23-10-15-14-9(12)24-10)19(18-13-5)7-6(11)16-22-17-7/h2-3H2,1H3,(H2,11,16)(H2,12,14)

InChI Key

KLLLYFNNZKTPGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01414591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.39

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

0.547

Distribution Coefficient, logD

0.547

Water Solubility, LogSw

-0.94

Polar Surface Area

146.984

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

3577-0086 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3577-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3577-0086?
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What is the minimum amount of 3577-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3577-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3577-0086
  • 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 3577-0086 available by request