2359-0116 Screening compound: (Z)-4-amino-N'-[(2,4-dichlorophenyl)methoxy]-N-(2,4-dimethylphenyl)-1,2,5-oxadiazole-3-carboximidamide

2359-0116 Screening compound: (Z)-4-amino-N'-[(2,4-dichlorophenyl)methoxy]-N-(2,4-dimethylphenyl)-1,2,5-oxadiazole-3-carboximidamide
2359-0116 Screening compound: (Z)-4-amino-N'-[(2,4-dichlorophenyl)methoxy]-N-(2,4-dimethylphenyl)-1,2,5-oxadiazole-3-carboximidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2359-0116
(Z)-4-amino-N'-[(2,4-dichlorophenyl)methoxy]-N-(2,4-dimethylphenyl)-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

2359-0116

Molecular Formula

C18H17Cl2N5O2 (C18 H17 Cl2 N5 O2)

Compound Name

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

IUPAC name

(Z)-4-amino-N'-[(24-dichlorophenyl)methoxy]-N-(24-dimethylphenyl)-125-oxadiazole-3-carboximidamide

SMILES

Cc(cc1)cc(C)c1N/C(/c1nonc1N)=N\OCc(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C18H17Cl2N5O2/c1-10-3-6-15(11(2)7-10)22-18(16-17(21)24-27-23-16)25-26-9-12-4-5-13(19)8-14(12)20/h3-8H,9H2,1-2H3,(H2,21,24)(H,22,25)

InChI Key

OHUNCUXJHFATEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01446608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.906

Distribution Coefficient, logD

5.906

Water Solubility, LogSw

-6.00

Polar Surface Area

85.067

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

5.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

2359-0116 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2359-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2359-0116?
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What is the minimum amount of 2359-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2359-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2359-0116
  • 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 2359-0116 available by request