3346-0589 Screening compound: N~1~-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-(pentyloxy)benzamide

3346-0589 Screening compound: N~1~-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-(pentyloxy)benzamide
3346-0589 Screening compound: N~1~-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-(pentyloxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3346-0589
N~1~-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-(pentyloxy)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

3346-0589

Molecular Formula

C25H26N2O3 (C25 H26 N2 O3)

Compound Name

N~1~-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-(pentyloxy)benzamide

IUPAC name

N-{2-ethyl-3-oxo-2-azatricyclo[6.3.1.0^{412}]dodeca-1(11)468(12)9-pentaen-9-yl}-4-(pentyloxy)benzamide

SMILES

CCCCCOc(cc1)ccc1C(Nc(cc1)c(cccc23)c3c1N(CC)C2=O)=O

InChI

InChI=1S/C25H26N2O3/c1-3-5-6-16-30-18-12-10-17(11-13-18)24(28)26-21-14-15-22-23-19(21)8-7-9-20(23)25(29)27(22)4-2/h7-15H,3-6,16H2,1-2H3,(H,26,28)

InChI Key

UCEFZADXHCGVKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04420838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.538

Distribution Coefficient, logD

5.538

Water Solubility, LogSw

-5.86

Polar Surface Area

45.243

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

3346-0589 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3346-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3346-0589?
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What is the minimum amount of 3346-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3346-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3346-0589
  • 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 3346-0589 available by request