8005-9527 Screening compound: N'~1~-[(E)-1-(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-1-benzenecarbothiohydrazide

8005-9527 Screening compound: N'~1~-[(E)-1-(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-1-benzenecarbothiohydrazide
8005-9527 Screening compound: N'~1~-[(E)-1-(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-1-benzenecarbothiohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-9527
N'~1~-[(E)-1-(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-1-benzenecarbothiohydrazide

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

8005-9527

Molecular Formula

C14H10BrN3O3S (C14 H10 BrN3 O3 S)

Compound Name

N'~1~-[(E)-1-(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-1-benzenecarbothiohydrazide

IUPAC name

N-[(E)-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]amino]benzenecarbothioamide

SMILES

[O-][N+](c(cc1/C=N/NC(c2ccccc2)=S)cc(Br)c1O)=O

InChI

InChI=1S/C14H10BrN3O3S/c15-12-7-11(18(20)21)6-10(13(12)19)8-16-17-14(22)9-4-2-1-3-5-9/h1-8,19H,(H,17,22)

InChI Key

WIHNFBYVNMWICE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00823019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.22

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.619

Distribution Coefficient, logD

2.929

Water Solubility, LogSw

-4.45

Polar Surface Area

70.805

Acid Dissociation Constant (pKa)

5.72

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8005-9527 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8005-9527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-9527?
Check Price and Availability of 8005-9527, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8005-9527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-9527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-9527
  • 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 8005-9527 available by request