8011-4142 Screening compound: (Z)-4-amino-N'-[(2-chloro-4-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide

8011-4142 Screening compound: (Z)-4-amino-N'-[(2-chloro-4-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide
8011-4142 Screening compound: (Z)-4-amino-N'-[(2-chloro-4-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-4142
(Z)-4-amino-N'-[(2-chloro-4-fluorophenyl)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

8011-4142

Molecular Formula

C10H9ClFN5O2 (C10 H9 ClFN5 O2)

Compound Name

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

IUPAC name

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

SMILES

N/C(/c1nonc1N)=N\OCc(ccc(F)c1)c1Cl

InChI

InChI=1S/C10H9ClFN5O2/c11-7-3-6(12)2-1-5(7)4-18-16-9(13)8-10(14)17-19-15-8/h1-3H,4H2,(H2,13,16)(H2,14,17)

InChI Key

OXUDHZBPXREHRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02648549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.67

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.536

Distribution Coefficient, logD

2.536

Water Solubility, LogSw

-3.07

Polar Surface Area

96.813

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8011-4142 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8011-4142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-4142?
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What is the minimum amount of 8011-4142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-4142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-4142
  • 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 8011-4142 available by request