C080-0037 Screening compound: N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

C080-0037 Screening compound: N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
C080-0037 Screening compound: N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C080-0037
N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

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

C080-0037

Molecular Formula

C27H25BrN2O5 (C27 H25 BrN2 O5)

Compound Name

N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

IUPAC name

N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenyl)-67-dimethoxy-1-oxo-12-dihydroisoquinoline-4-carboxamide

SMILES

CCOc(cc1)ccc1N(C=C(C(Nc(cc1)c(C)cc1Br)=O)c(cc1OC)c2cc1OC)C2=O

InChI

InChI=1S/C27H25BrN2O5/c1-5-35-19-9-7-18(8-10-19)30-15-22(26(31)29-23-11-6-17(28)12-16(23)2)20-13-24(33-3)25(34-4)14-21(20)27(30)32/h6-15H,5H2,1-4H3,(H,29,31)

InChI Key

PFNRTIJZLXICOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14717811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.162

Distribution Coefficient, logD

5.153

Water Solubility, LogSw

-5.00

Polar Surface Area

60.532

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C080-0037 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C080-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C080-0037?
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What is the minimum amount of C080-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C080-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C080-0037
  • 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 C080-0037 available by request