8003-8787 Screening compound: N-[2-(4-hydroxyphenyl)-1-{N'-[(E)-[4-(prop-2-en-1-yloxy)phenyl]methylidene]hydrazinecarbonyl}ethyl]-3,5-dinitrobenzamide

8003-8787 Screening compound: N-[2-(4-hydroxyphenyl)-1-{N'-[(E)-[4-(prop-2-en-1-yloxy)phenyl]methylidene]hydrazinecarbonyl}ethyl]-3,5-dinitrobenzamide
8003-8787 Screening compound: N-[2-(4-hydroxyphenyl)-1-{N'-[(E)-[4-(prop-2-en-1-yloxy)phenyl]methylidene]hydrazinecarbonyl}ethyl]-3,5-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-8787
N-[2-(4-hydroxyphenyl)-1-{N'-[(E)-[4-(prop-2-en-1-yloxy)phenyl]methylidene]hydrazinecarbonyl}ethyl]-3,5-dinitrobenzamide

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

8003-8787

Molecular Formula

C26H23N5O8 (C26 H23 N5 O8)

Compound Name

N-[2-(4-hydroxyphenyl)-1-{N'-[(E)-[4-(prop-2-en-1-yloxy)phenyl]methylidene]hydrazinecarbonyl}ethyl]-3,5-dinitrobenzamide

IUPAC name

N-[2-(4-hydroxyphenyl)-1-{N'-[(E)-[4-(prop-2-en-1-yloxy)phenyl]methylidene]hydrazinecarbonyl}ethyl]-35-dinitrobenzamide

SMILES

C=CCOc1ccc(/C=N/NC(C(Cc(cc2)ccc2O)NC(c2cc([N+]([O-])=O)cc([N+]([O-])=O)c2)=O)=O)cc1

InChI

InChI=1S/C26H23N5O8/c1-2-11-39-23-9-5-18(6-10-23)16-27-29-26(34)24(12-17-3-7-22(32)8-4-17)28-25(33)19-13-20(30(35)36)15-21(14-19)31(37)38/h2-10,13-16,24,32H,1,11-12H2,(H,28,33)(H,29,34)/t24-/m0/s1

InChI Key

PQCQEBPKYCWNDM-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD00471016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.5

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

3.779

Distribution Coefficient, logD

3.778

Water Solubility, LogSw

-4.11

Polar Surface Area

151.396

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.50

8003-8787 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8003-8787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-8787?
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What is the minimum amount of 8003-8787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-8787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-8787
  • 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 8003-8787 available by request