8003-8581 Screening compound: 2-methyl-N-(2-{N'-[(E)-[4-(octyloxy)phenyl]methylidene]hydrazinecarbonyl}phenyl)benzamide

8003-8581 Screening compound: 2-methyl-N-(2-{N'-[(E)-[4-(octyloxy)phenyl]methylidene]hydrazinecarbonyl}phenyl)benzamide
8003-8581 Screening compound: 2-methyl-N-(2-{N'-[(E)-[4-(octyloxy)phenyl]methylidene]hydrazinecarbonyl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-8581
2-methyl-N-(2-{N'-[(E)-[4-(octyloxy)phenyl]methylidene]hydrazinecarbonyl}phenyl)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

8003-8581

Molecular Formula

C30H35N3O3 (C30 H35 N3 O3)

Compound Name

2-methyl-N-(2-{N'-[(E)-[4-(octyloxy)phenyl]methylidene]hydrazinecarbonyl}phenyl)benzamide

IUPAC name

2-methyl-N-(2-{N'-[(E)-[4-(octyloxy)phenyl]methylidene]hydrazinecarbonyl}phenyl)benzamide

SMILES

CCCCCCCCOc1ccc(/C=N/NC(c(cccc2)c2NC(c2c(C)cccc2)=O)=O)cc1

InChI

InChI=1S/C30H35N3O3/c1-3-4-5-6-7-12-21-36-25-19-17-24(18-20-25)22-31-33-30(35)27-15-10-11-16-28(27)32-29(34)26-14-9-8-13-23(26)2/h8-11,13-20,22H,3-7,12,21H2,1-2H3,(H,32,34)(H,33,35)

InChI Key

TXTRLSWXSXGREB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00745000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.266

Distribution Coefficient, logD

7.245

Water Solubility, LogSw

-5.74

Polar Surface Area

65.365

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8003-8581 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 8003-8581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-8581?
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What is the minimum amount of 8003-8581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-8581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-8581
  • 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 8003-8581 available by request