1705-0777 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,3-dimethoxyphenyl)methylidene]-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide

1705-0777 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,3-dimethoxyphenyl)methylidene]-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
1705-0777 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,3-dimethoxyphenyl)methylidene]-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1705-0777
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,3-dimethoxyphenyl)methylidene]-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide

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

1705-0777

Molecular Formula

C20H17N9O6 (C20 H17 N9 O6)

Compound Name

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,3-dimethoxyphenyl)methylidene]-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-N'-[(E)-(23-dimethoxyphenyl)methylidene]-5-(4-nitrophenyl)-1H-123-triazole-4-carbohydrazide

SMILES

COc1cccc(/C=N/NC(c2c(-c(cc3)ccc3[N+]([O-])=O)n(-c3nonc3N)nn2)=O)c1OC

InChI

InChI=1S/C20H17N9O6/c1-33-14-5-3-4-12(17(14)34-2)10-22-24-20(30)15-16(11-6-8-13(9-7-11)29(31)32)28(27-23-15)19-18(21)25-35-26-19/h3-10H,1-2H3,(H2,21,25)(H,24,30)

InChI Key

PARSWVJACCFZAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01246878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.41

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

15

Partition Coefficient, logP

2.725

Distribution Coefficient, logD

2.725

Water Solubility, LogSw

-3.28

Polar Surface Area

166.132

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

1705-0777 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1705-0777 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1705-0777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1705-0777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1705-0777
  • 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 1705-0777 available by request