6011-0736 Screening compound: 2-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dipropylamino)methyl]-1H-1,2,3-triazol-4-yl]formamido}imino)methyl]benzoic acid

6011-0736 Screening compound: 2-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dipropylamino)methyl]-1H-1,2,3-triazol-4-yl]formamido}imino)methyl]benzoic acid
6011-0736 Screening compound: 2-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dipropylamino)methyl]-1H-1,2,3-triazol-4-yl]formamido}imino)methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6011-0736
2-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dipropylamino)methyl]-1H-1,2,3-triazol-4-yl]formamido}imino)methyl]benzoic acid

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

6011-0736

Molecular Formula

C20H25N9O4 (C20 H25 N9 O4)

Compound Name

2-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dipropylamino)methyl]-1H-1,2,3-triazol-4-yl]formamido}imino)methyl]benzoic acid

IUPAC name

2-[(E)-({[1-(4-amino-125-oxadiazol-3-yl)-5-[(dipropylamino)methyl]-1H-123-triazol-4-yl]formamido}imino)methyl]benzoic acid

SMILES

CCCN(CCC)Cc1c(C(N/N=C/c(cccc2)c2C(O)=O)=O)nnn1-c1nonc1N

InChI

InChI=1S/C20H25N9O4/c1-3-9-28(10-4-2)12-15-16(23-27-29(15)18-17(21)25-33-26-18)19(30)24-22-11-13-7-5-6-8-14(13)20(31)32/h5-8,11H,3-4,9-10,12H2,1-2H3,(H2,21,25)(H,24,30)(H,31,32)

InChI Key

DGHFZSLSIKOANG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.48

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

2.372

Distribution Coefficient, logD

2.372

Water Solubility, LogSw

-2.82

Polar Surface Area

150.503

Acid Dissociation Constant (pKa)

3.98

Base Dissociation Constant (pKb)

8.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with 6011-0736 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6011-0736?
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What is the minimum amount of 6011-0736 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6011-0736
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6011-0736
  • 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 6011-0736 available by request