8009-5380 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-N'-[(1E)-3-phenylpropylidene]-1H-1,2,3-triazole-4-carbohydrazide

8009-5380 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-N'-[(1E)-3-phenylpropylidene]-1H-1,2,3-triazole-4-carbohydrazide
8009-5380 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-N'-[(1E)-3-phenylpropylidene]-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5380
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-N'-[(1E)-3-phenylpropylidene]-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

8009-5380

Molecular Formula

C20H17N9O4 (C20 H17 N9 O4)

Compound Name

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

IUPAC name

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

SMILES

Nc1nonc1-n1nnc(C(N/N=C/CCc2ccccc2)=O)c1-c(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C20H17N9O4/c21-18-19(26-33-25-18)28-17(14-8-10-15(11-9-14)29(31)32)16(23-27-28)20(30)24-22-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-12H,4,7H2,(H2,21,25)(H,24,30)

InChI Key

FMJWVLRDABVILF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01821822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.41

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

2.737

Distribution Coefficient, logD

2.736

Water Solubility, LogSw

-3.25

Polar Surface Area

151.416

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8009-5380 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 8009-5380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-5380?
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What is the minimum amount of 8009-5380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5380
  • 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 8009-5380 available by request