8005-1453 Screening compound: 2-(4-bromonaphthalen-1-yl)-N'-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylidene]acetohydrazide

8005-1453 Screening compound: 2-(4-bromonaphthalen-1-yl)-N'-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylidene]acetohydrazide
8005-1453 Screening compound: 2-(4-bromonaphthalen-1-yl)-N'-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-1453
2-(4-bromonaphthalen-1-yl)-N'-[(E)-(3,5-dibromo-4-hydroxyphenyl)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

8005-1453

Molecular Formula

C19H13Br3N2O2 (C19 H13 Br3 N2 O2)

Compound Name

2-(4-bromonaphthalen-1-yl)-N'-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylidene]acetohydrazide

IUPAC name

2-(4-bromonaphthalen-1-yl)-N'-[(E)-(35-dibromo-4-hydroxyphenyl)methylidene]acetohydrazide

SMILES

Oc(c(Br)cc(/C=N/NC(Cc(c1ccccc11)ccc1Br)=O)c1)c1Br

InChI

InChI=1S/C19H13Br3N2O2/c20-15-6-5-12(13-3-1-2-4-14(13)15)9-18(25)24-23-10-11-7-16(21)19(26)17(22)8-11/h1-8,10,26H,9H2,(H,24,25)

InChI Key

KUYPJGOTSSSRPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00741156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.04

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.680

Distribution Coefficient, logD

5.381

Water Solubility, LogSw

-5.80

Polar Surface Area

50.548

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

8005-1453 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 8005-1453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-1453?
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What is the minimum amount of 8005-1453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-1453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-1453
  • 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 8005-1453 available by request