8006-8353 Screening compound: 2-(4-bromophenoxy)-N'-(3-methyl-4-nitro-1H-pyrazol-5-yl)acetohydrazide

8006-8353 Screening compound: 2-(4-bromophenoxy)-N'-(3-methyl-4-nitro-1H-pyrazol-5-yl)acetohydrazide
8006-8353 Screening compound: 2-(4-bromophenoxy)-N'-(3-methyl-4-nitro-1H-pyrazol-5-yl)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8353
2-(4-bromophenoxy)-N'-(3-methyl-4-nitro-1H-pyrazol-5-yl)acetohydrazide

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

8006-8353

Molecular Formula

C12H12BrN5O4 (C12 H12 BrN5 O4)

Compound Name

2-(4-bromophenoxy)-N'-(3-methyl-4-nitro-1H-pyrazol-5-yl)acetohydrazide

IUPAC name

2-(4-bromophenoxy)-N'-(3-methyl-4-nitro-1H-pyrazol-5-yl)acetohydrazide

SMILES

Cc1n[nH]c(NNC(COc(cc2)ccc2Br)=O)c1[N+]([O-])=O

InChI

InChI=1S/C12H12BrN5O4/c1-7-11(18(20)21)12(16-14-7)17-15-10(19)6-22-9-4-2-8(13)3-5-9/h2-5H,6H2,1H3,(H,15,19)(H2,14,16,17)

InChI Key

NENHVYZEBZCANP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00826869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.16

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.756

Distribution Coefficient, logD

1.754

Water Solubility, LogSw

-2.21

Polar Surface Area

101.299

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8006-8353 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 8006-8353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8353?
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What is the minimum amount of 8006-8353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8353
  • 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 8006-8353 available by request