6703-3138 Screening compound: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate

6703-3138 Screening compound: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
6703-3138 Screening compound: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6703-3138
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-methyl-1H-1,3-benzodiazol-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

6703-3138

Molecular Formula

C16H16N8O3S (C16 H16 N8 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(CSc2nc(cc(C)cc3)c3[nH]2)n(-c2nonc2N)nn1)=O

InChI

InChI=1S/C16H16N8O3S/c1-3-26-15(25)12-11(24(23-20-12)14-13(17)21-27-22-14)7-28-16-18-9-5-4-8(2)6-10(9)19-16/h4-6H,3,7H2,1-2H3,(H2,17,21)(H,18,19)

InChI Key

NGCKJYXZLKEAPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03766900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.42

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

2.265

Distribution Coefficient, logD

2.259

Water Solubility, LogSw

-2.76

Polar Surface Area

121.335

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 6703-3138 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6703-3138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6703-3138
  • 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 6703-3138 available by request