6011-0597 Screening compound: 4-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-1H-1,2,3-triazol-4-yl]formamido}imino)methyl]-2,6-dimethoxyphenyl acetate

6011-0597 Screening compound: 4-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-1H-1,2,3-triazol-4-yl]formamido}imino)methyl]-2,6-dimethoxyphenyl acetate
6011-0597 Screening compound: 4-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-1H-1,2,3-triazol-4-yl]formamido}imino)methyl]-2,6-dimethoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6011-0597
4-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-1H-1,2,3-triazol-4-yl]formamido}imino)methyl]-2,6-dimethoxyphenyl acetate

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

6011-0597

Molecular Formula

C19H23N9O6 (C19 H23 N9 O6)

Compound Name

4-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-1H-1,2,3-triazol-4-yl]formamido}imino)methyl]-2,6-dimethoxyphenyl acetate

IUPAC name

4-[(E)-({[1-(4-amino-125-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-1H-123-triazol-4-yl]formamido}imino)methyl]-26-dimethoxyphenyl acetate

SMILES

CC(Oc(c(OC)cc(/C=N/NC(c1c(CN(C)C)n(-c2nonc2N)nn1)=O)c1)c1OC)=O

InChI

InChI=1S/C19H23N9O6/c1-10(29)33-16-13(31-4)6-11(7-14(16)32-5)8-21-23-19(30)15-12(9-27(2)3)28(26-22-15)18-17(20)24-34-25-18/h6-8H,9H2,1-5H3,(H2,20,24)(H,23,30)

InChI Key

LGHSIQDBYRBVDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03289858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.45

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

15

Partition Coefficient, logP

0.220

Distribution Coefficient, logD

-0.240

Water Solubility, LogSw

-1.35

Polar Surface Area

158.228

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

7.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with 6011-0597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6011-0597?
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What is the minimum amount of 6011-0597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6011-0597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6011-0597
  • 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 6011-0597 available by request