8003-9124 Screening compound: N-[(E)-2-(1,3-benzodioxol-5-yl)-1-({2-[(E)-1-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]hydrazino}carbonyl)-1-ethenyl]benzamide

8003-9124 Screening compound: N-[(E)-2-(1,3-benzodioxol-5-yl)-1-({2-[(E)-1-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]hydrazino}carbonyl)-1-ethenyl]benzamide
8003-9124 Screening compound: N-[(E)-2-(1,3-benzodioxol-5-yl)-1-({2-[(E)-1-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]hydrazino}carbonyl)-1-ethenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-9124
N-[(E)-2-(1,3-benzodioxol-5-yl)-1-({2-[(E)-1-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]hydrazino}carbonyl)-1-ethenyl]benzamide

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

8003-9124

Molecular Formula

C25H20BrN3O6 (C25 H20 BrN3 O6)

Compound Name

N-[(E)-2-(1,3-benzodioxol-5-yl)-1-({2-[(E)-1-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]hydrazino}carbonyl)-1-ethenyl]benzamide

IUPAC name

N-[(1E)-2-(2H-13-benzodioxol-5-yl)-1-{N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinecarbonyl}eth-1-en-1-yl]benzamide

SMILES

COc1cc(/C=N/NC(/C(/NC(c2ccccc2)=O)=C\c(cc2)cc3c2OCO3)=O)cc(Br)c1O

InChI

InChI=1S/C25H20BrN3O6/c1-33-22-12-16(9-18(26)23(22)30)13-27-29-25(32)19(28-24(31)17-5-3-2-4-6-17)10-15-7-8-20-21(11-15)35-14-34-20/h2-13,30H,14H2,1H3,(H,28,31)(H,29,32)

InChI Key

PPVUKJPMBDFDGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00472366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.077

Distribution Coefficient, logD

2.501

Water Solubility, LogSw

-4.19

Polar Surface Area

97.704

Acid Dissociation Constant (pKa)

5.84

Base Dissociation Constant (pKb)

4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

8003-9124 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8003-9124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-9124?
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What is the minimum amount of 8003-9124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-9124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-9124
  • 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 8003-9124 available by request