1322-0168 Screening compound: 4-{4-[(1Z)-1-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazin-1-ylidene]ethyl]-5-methyl-1H-1,2,3-triazol-1-yl}-1,2,5-oxadiazol-3-amine

1322-0168 Screening compound: 4-{4-[(1Z)-1-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazin-1-ylidene]ethyl]-5-methyl-1H-1,2,3-triazol-1-yl}-1,2,5-oxadiazol-3-amine
1322-0168 Screening compound: 4-{4-[(1Z)-1-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazin-1-ylidene]ethyl]-5-methyl-1H-1,2,3-triazol-1-yl}-1,2,5-oxadiazol-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1322-0168
4-{4-[(1Z)-1-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazin-1-ylidene]ethyl]-5-methyl-1H-1,2,3-triazol-1-yl}-1,2,5-oxadiazol-3-amine

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

1322-0168

Molecular Formula

C14H12Cl2N8O (C14 H12 Cl2 N8 O)

Compound Name

4-{4-[(1Z)-1-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazin-1-ylidene]ethyl]-5-methyl-1H-1,2,3-triazol-1-yl}-1,2,5-oxadiazol-3-amine

IUPAC name

4-{4-[(1Z)-1-[(2E)-2-[(24-dichlorophenyl)methylidene]hydrazin-1-ylidene]ethyl]-5-methyl-1H-123-triazol-1-yl}-125-oxadiazol-3-amine

SMILES

C/C(/c1c(C)n(-c2nonc2N)nn1)=N/N=C/c(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C14H12Cl2N8O/c1-7(19-18-6-9-3-4-10(15)5-11(9)16)12-8(2)24(23-20-12)14-13(17)21-25-22-14/h3-6H,1-2H3,(H2,17,21)

InChI Key

MUGRZVJHRAYLLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01245419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.21

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.628

Distribution Coefficient, logD

3.628

Water Solubility, LogSw

-3.83

Polar Surface Area

102.052

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

1322-0168 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1322-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1322-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1322-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1322-0168
  • 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 1322-0168 available by request