8001-2943 Screening compound: ethyl 1-[4-((E)-2-{4-[5-(ethoxycarbonyl)-1H-1,2,3-triazol-1-yl]-1,2,5-oxadiazol-3-yl}-1-diazenyl)-1,2,5-oxadiazol-3-yl]-1H-1,2,3-triazole-5-carboxylate

8001-2943 Screening compound: ethyl 1-[4-((E)-2-{4-[5-(ethoxycarbonyl)-1H-1,2,3-triazol-1-yl]-1,2,5-oxadiazol-3-yl}-1-diazenyl)-1,2,5-oxadiazol-3-yl]-1H-1,2,3-triazole-5-carboxylate
8001-2943 Screening compound: ethyl 1-[4-((E)-2-{4-[5-(ethoxycarbonyl)-1H-1,2,3-triazol-1-yl]-1,2,5-oxadiazol-3-yl}-1-diazenyl)-1,2,5-oxadiazol-3-yl]-1H-1,2,3-triazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-2943
ethyl 1-[4-((E)-2-{4-[5-(ethoxycarbonyl)-1H-1,2,3-triazol-1-yl]-1,2,5-oxadiazol-3-yl}-1-diazenyl)-1,2,5-oxadiazol-3-yl]-1H-1,2,3-triazole-5-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

8001-2943

Molecular Formula

C14H12N12O6 (C14 H12 N12 O6)

Compound Name

ethyl 1-[4-((E)-2-{4-[5-(ethoxycarbonyl)-1H-1,2,3-triazol-1-yl]-1,2,5-oxadiazol-3-yl}-1-diazenyl)-1,2,5-oxadiazol-3-yl]-1H-1,2,3-triazole-5-carboxylate

IUPAC name

ethyl 1-{4-[(1E)-2-{4-[5-(ethoxycarbonyl)-1H-123-triazol-1-yl]-125-oxadiazol-3-yl}diazen-1-yl]-125-oxadiazol-3-yl}-1H-123-triazole-5-carboxylate

SMILES

CCOC(c1cnnn1-c1nonc1/N=N/c1nonc1-n1nncc1C(OCC)=O)=O

InChI

InChI=1S/C14H12N12O6/c1-3-29-13(27)7-5-15-23-25(7)11-9(19-31-21-11)17-18-10-12(22-32-20-10)26-8(6-16-24-26)14(28)30-4-2/h5-6H,3-4H2,1-2H3

InChI Key

QIYMJDNGAZHBFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00495919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.33

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

18

Partition Coefficient, logP

2.620

Distribution Coefficient, logD

2.620

Water Solubility, LogSw

-2.37

Polar Surface Area

188.326

Acid Dissociation Constant (pKa)

30.01

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

References: we are preparing a list of scientific research reports with 8001-2943 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-2943?
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What is the minimum amount of 8001-2943 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-2943
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-2943
  • 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 8001-2943 available by request