3472-0304 Screening compound: 3-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]formamido}imino)methyl]phenyl morpholine-4-carboxylate

3472-0304 Screening compound: 3-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]formamido}imino)methyl]phenyl morpholine-4-carboxylate
3472-0304 Screening compound: 3-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]formamido}imino)methyl]phenyl morpholine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3472-0304
3-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]formamido}imino)methyl]phenyl morpholine-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

3472-0304

Molecular Formula

C18H19N9O5 (C18 H19 N9 O5)

Compound Name

3-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]formamido}imino)methyl]phenyl morpholine-4-carboxylate

IUPAC name

3-[(E)-({[1-(4-amino-125-oxadiazol-3-yl)-5-methyl-1H-123-triazol-4-yl]formamido}imino)methyl]phenyl morpholine-4-carboxylate

SMILES

Cc1c(C(N/N=C/c2cccc(OC(N3CCOCC3)=O)c2)=O)nnn1-c1nonc1N

InChI

InChI=1S/C18H19N9O5/c1-11-14(21-25-27(11)16-15(19)23-32-24-16)17(28)22-20-10-12-3-2-4-13(9-12)31-18(29)26-5-7-30-8-6-26/h2-4,9-10H,5-8H2,1H3,(H2,19,23)(H,22,28)

InChI Key

GFWSLBLKCFXVRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03826562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.41

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

0.908

Distribution Coefficient, logD

0.903

Water Solubility, LogSw

-2.08

Polar Surface Area

149.150

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with 3472-0304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3472-0304?
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What is the minimum amount of 3472-0304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3472-0304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3472-0304
  • 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 3472-0304 available by request