8015-6544 Screening compound: N~1~-{2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxyphenyl}-2,2-dimethyl-3-(2-methyl-1-propenyl)-1-cyclopropanecarboxamide

8015-6544 Screening compound: N~1~-{2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxyphenyl}-2,2-dimethyl-3-(2-methyl-1-propenyl)-1-cyclopropanecarboxamide
8015-6544 Screening compound: N~1~-{2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxyphenyl}-2,2-dimethyl-3-(2-methyl-1-propenyl)-1-cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6544
N~1~-{2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxyphenyl}-2,2-dimethyl-3-(2-methyl-1-propenyl)-1-cyclopropanecarboxamide

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

8015-6544

Molecular Formula

C30H36N2O5 (C30 H36 N2 O5)

Compound Name

N~1~-{2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxyphenyl}-2,2-dimethyl-3-(2-methyl-1-propenyl)-1-cyclopropanecarboxamide

IUPAC name

N-{2-[(67-dimethoxyisoquinolin-1-yl)methyl]-45-dimethoxyphenyl}-22-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxamide

SMILES

CC(C)(C1C=C(C)C)C1C(Nc(cc1OC)c(Cc(c2c3)nccc2cc(OC)c3OC)cc1OC)=O

InChI

InChI=1S/C30H36N2O5/c1-17(2)11-21-28(30(21,3)4)29(33)32-22-16-27(37-8)25(35-6)14-19(22)12-23-20-15-26(36-7)24(34-5)13-18(20)9-10-31-23/h9-11,13-16,21,28H,12H2,1-8H3,(H,32,33)

InChI Key

XYFLARFQYOZJGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05257411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.868

Distribution Coefficient, logD

5.860

Water Solubility, LogSw

-5.56

Polar Surface Area

63.447

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

5.69

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

8015-6544 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 8015-6544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6544?
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What is the minimum amount of 8015-6544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6544
  • 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 8015-6544 available by request