8004-7629 Screening compound: 2-(4-bromo-2,6-dimethylphenoxy)-N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]acetohydrazide

8004-7629 Screening compound: 2-(4-bromo-2,6-dimethylphenoxy)-N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]acetohydrazide
8004-7629 Screening compound: 2-(4-bromo-2,6-dimethylphenoxy)-N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-7629
2-(4-bromo-2,6-dimethylphenoxy)-N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]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

8004-7629

Molecular Formula

C18H18BrN3O6 (C18 H18 BrN3 O6)

Compound Name

2-(4-bromo-2,6-dimethylphenoxy)-N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]acetohydrazide

IUPAC name

2-(4-bromo-26-dimethylphenoxy)-N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]acetohydrazide

SMILES

Cc1cc(Br)cc(C)c1OCC(N/N=C/c(cc1[N+]([O-])=O)cc(OC)c1O)=O

InChI

InChI=1S/C18H18BrN3O6/c1-10-4-13(19)5-11(2)18(10)28-9-16(23)21-20-8-12-6-14(22(25)26)17(24)15(7-12)27-3/h4-8,24H,9H2,1-3H3,(H,21,23)

InChI Key

ATYQPIORLAKLPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00352196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.26

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.496

Distribution Coefficient, logD

3.616

Water Solubility, LogSw

-4.39

Polar Surface Area

99.203

Acid Dissociation Constant (pKa)

6.58

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

8004-7629 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8004-7629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-7629?
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What is the minimum amount of 8004-7629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-7629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-7629
  • 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 8004-7629 available by request