8012-8752 Screening compound: (Z)-4-amino-N'-[(2-methoxy-4-methylphenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide

8012-8752 Screening compound: (Z)-4-amino-N'-[(2-methoxy-4-methylphenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide
8012-8752 Screening compound: (Z)-4-amino-N'-[(2-methoxy-4-methylphenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-8752
(Z)-4-amino-N'-[(2-methoxy-4-methylphenyl)methoxy]-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

8012-8752

Molecular Formula

C12H15N5O3 (C12 H15 N5 O3)

Compound Name

(Z)-4-amino-N'-[(2-methoxy-4-methylphenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide

IUPAC name

(Z)-4-amino-N'-[(2-methoxy-4-methylphenyl)methoxy]-125-oxadiazole-3-carboximidamide

SMILES

Cc1cc(OC)c(CO/N=C(/c2nonc2N)\N)cc1

InChI

InChI=1S/C12H15N5O3/c1-7-3-4-8(9(5-7)18-2)6-19-16-11(13)10-12(14)17-20-15-10/h3-5H,6H2,1-2H3,(H2,13,16)(H2,14,17)

InChI Key

KKAXIWDWDRHXHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03307769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.277

Distribution Coefficient, logD

2.277

Water Solubility, LogSw

-2.40

Polar Surface Area

104.444

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8012-8752 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 8012-8752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-8752?
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What is the minimum amount of 8012-8752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-8752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-8752
  • 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 8012-8752 available by request