4158-0461 Screening compound: (Z)-4-amino-N'-[(E)-[(3,4,5-trimethoxyphenyl)methylidene]amino]-1,2,5-oxadiazole-3-carboximidamide

4158-0461 Screening compound: (Z)-4-amino-N'-[(E)-[(3,4,5-trimethoxyphenyl)methylidene]amino]-1,2,5-oxadiazole-3-carboximidamide
4158-0461 Screening compound: (Z)-4-amino-N'-[(E)-[(3,4,5-trimethoxyphenyl)methylidene]amino]-1,2,5-oxadiazole-3-carboximidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4158-0461
(Z)-4-amino-N'-[(E)-[(3,4,5-trimethoxyphenyl)methylidene]amino]-1,2,5-oxadiazole-3-carboximidamide

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

4158-0461

Molecular Formula

C13H16N6O4 (C13 H16 N6 O4)

Compound Name

(Z)-4-amino-N'-[(E)-[(3,4,5-trimethoxyphenyl)methylidene]amino]-1,2,5-oxadiazole-3-carboximidamide

IUPAC name

(Z)-4-amino-N'-[(E)-[(345-trimethoxyphenyl)methylidene]amino]-125-oxadiazole-3-carboximidamide

SMILES

COc1cc(/C=N/N=C(/c2nonc2N)\N)cc(OC)c1OC

InChI

InChI=1S/C13H16N6O4/c1-20-8-4-7(5-9(21-2)11(8)22-3)6-16-17-12(14)10-13(15)19-23-18-10/h4-6H,1-3H3,(H2,14,17)(H2,15,19)

InChI Key

GWRVJHITAPZRIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01080193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.021

Distribution Coefficient, logD

1.020

Water Solubility, LogSw

-1.49

Polar Surface Area

119.586

Acid Dissociation Constant (pKa)

15.64

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

4158-0461 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4158-0461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4158-0461?
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What is the minimum amount of 4158-0461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4158-0461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4158-0461
  • 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 4158-0461 available by request