8008-0800 Screening compound: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylate

8008-0800 Screening compound: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylate
8008-0800 Screening compound: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-0800
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1H-1,3-benzodiazol-2-ylsulfanyl)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

8008-0800

Molecular Formula

C15H14N8O3S (C15 H14 N8 O3 S)

Compound Name

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

IUPAC name

ethyl 1-(4-amino-125-oxadiazol-3-yl)-5-[(1H-13-benzodiazol-2-ylsulfanyl)methyl]-1H-123-triazole-4-carboxylate

SMILES

CCOC(c1c(CSc2nc(cccc3)c3[nH]2)n(-c2nonc2N)nn1)=O

InChI

InChI=1S/C15H14N8O3S/c1-2-25-14(24)11-10(23(22-19-11)13-12(16)20-26-21-13)7-27-15-17-8-5-3-4-6-9(8)18-15/h3-6H,2,7H2,1H3,(H2,16,20)(H,17,18)

InChI Key

AVUCJBDIBMEUTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01240775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.805

Distribution Coefficient, logD

1.796

Water Solubility, LogSw

-2.32

Polar Surface Area

121.335

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

5.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8008-0800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-0800?
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What is the minimum amount of 8008-0800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-0800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-0800
  • 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 8008-0800 available by request