4158-0459 Screening compound: (Z)-4-amino-N'-[(E)-[(2,4-dimethoxyphenyl)methylidene]amino]-1,2,5-oxadiazole-3-carboximidamide

4158-0459 Screening compound: (Z)-4-amino-N'-[(E)-[(2,4-dimethoxyphenyl)methylidene]amino]-1,2,5-oxadiazole-3-carboximidamide
4158-0459 Screening compound: (Z)-4-amino-N'-[(E)-[(2,4-dimethoxyphenyl)methylidene]amino]-1,2,5-oxadiazole-3-carboximidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4158-0459
(Z)-4-amino-N'-[(E)-[(2,4-dimethoxyphenyl)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

4158-0459

Molecular Formula

C12H14N6O3 (C12 H14 N6 O3)

Compound Name

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

IUPAC name

(Z)-4-amino-N'-[(E)-[(24-dimethoxyphenyl)methylidene]amino]-125-oxadiazole-3-carboximidamide

SMILES

COc1cc(OC)c(/C=N/N=C(/c2nonc2N)\N)cc1

InChI

InChI=1S/C12H14N6O3/c1-19-8-4-3-7(9(5-8)20-2)6-15-16-11(13)10-12(14)18-21-17-10/h3-6H,1-2H3,(H2,13,16)(H2,14,18)

InChI Key

TXUZKWNIYLMYLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01044686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.498

Distribution Coefficient, logD

1.487

Water Solubility, LogSw

-2.13

Polar Surface Area

111.782

Acid Dissociation Constant (pKa)

15.64

Base Dissociation Constant (pKb)

5.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4158-0459 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4158-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4158-0459?
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What is the minimum amount of 4158-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4158-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4158-0459
  • 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 4158-0459 available by request