8007-4423 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(5-bromothiophen-2-yl)methylidene]-5-[(diethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide

8007-4423 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(5-bromothiophen-2-yl)methylidene]-5-[(diethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
8007-4423 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(5-bromothiophen-2-yl)methylidene]-5-[(diethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-4423
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(5-bromothiophen-2-yl)methylidene]-5-[(diethylamino)methyl]-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

8007-4423

Molecular Formula

C15H18BrN9O2S (C15 H18 BrN9 O2 S)

Compound Name

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

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-N'-[(E)-(5-bromothiophen-2-yl)methylidene]-5-[(diethylamino)methyl]-1H-123-triazole-4-carbohydrazide

SMILES

CCN(CC)Cc1c(C(N/N=C/c(s2)ccc2Br)=O)nnn1-c1nonc1N

InChI

InChI=1S/C15H18BrN9O2S/c1-3-24(4-2)8-10-12(19-23-25(10)14-13(17)21-27-22-14)15(26)20-18-7-9-5-6-11(16)28-9/h5-7H,3-4,8H2,1-2H3,(H2,17,21)(H,20,26)

InChI Key

XOZBQWJKEMKOCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01304714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.462

Distribution Coefficient, logD

1.778

Water Solubility, LogSw

-2.67

Polar Surface Area

122.606

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

7.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8007-4423 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 8007-4423 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8007-4423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-4423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-4423
  • 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 8007-4423 available by request