8004-6804 Screening compound: N'-[(E)-(5-bromothiophen-2-yl)methylidene]-2-[4-(propan-2-yl)phenoxy]acetohydrazide

8004-6804 Screening compound: N'-[(E)-(5-bromothiophen-2-yl)methylidene]-2-[4-(propan-2-yl)phenoxy]acetohydrazide
8004-6804 Screening compound: N'-[(E)-(5-bromothiophen-2-yl)methylidene]-2-[4-(propan-2-yl)phenoxy]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-6804
N'-[(E)-(5-bromothiophen-2-yl)methylidene]-2-[4-(propan-2-yl)phenoxy]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

8004-6804

Molecular Formula

C16H17BrN2O2S (C16 H17 BrN2 O2 S)

Compound Name

N'-[(E)-(5-bromothiophen-2-yl)methylidene]-2-[4-(propan-2-yl)phenoxy]acetohydrazide

IUPAC name

N'-[(E)-(5-bromothiophen-2-yl)methylidene]-2-[4-(propan-2-yl)phenoxy]acetohydrazide

SMILES

CC(C)c(cc1)ccc1OCC(N/N=C/c(s1)ccc1Br)=O

InChI

InChI=1S/C16H17BrN2O2S/c1-11(2)12-3-5-13(6-4-12)21-10-16(20)19-18-9-14-7-8-15(17)22-14/h3-9,11H,10H2,1-2H3,(H,19,20)

InChI Key

FNGPJIHIASOYJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00558196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.035

Distribution Coefficient, logD

5.034

Water Solubility, LogSw

-4.55

Polar Surface Area

43.858

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8004-6804 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8004-6804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-6804?
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What is the minimum amount of 8004-6804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-6804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-6804
  • 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 8004-6804 available by request