C168-0534 Screening compound: N-{3-[ethyl(3-methylphenyl)amino]propyl}-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

C168-0534 Screening compound: N-{3-[ethyl(3-methylphenyl)amino]propyl}-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
C168-0534 Screening compound: N-{3-[ethyl(3-methylphenyl)amino]propyl}-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C168-0534
N-{3-[ethyl(3-methylphenyl)amino]propyl}-6,7-dimethoxy-2-(2-methylpropyl)-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

C168-0534

Molecular Formula

C28H37N3O4 (C28 H37 N3 O4)

Compound Name

N-{3-[ethyl(3-methylphenyl)amino]propyl}-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

IUPAC name

N-{3-[ethyl(3-methylphenyl)amino]propyl}-67-dimethoxy-2-(2-methylpropyl)-1-oxo-12-dihydroisoquinoline-4-carboxamide

SMILES

CCN(CCCNC(C(c(cc1OC)c2cc1OC)=CN(CC(C)C)C2=O)=O)c1cc(C)ccc1

InChI

InChI=1S/C28H37N3O4/c1-7-30(21-11-8-10-20(4)14-21)13-9-12-29-27(32)24-18-31(17-19(2)3)28(33)23-16-26(35-6)25(34-5)15-22(23)24/h8,10-11,14-16,18-19H,7,9,12-13,17H2,1-6H3,(H,29,32)

InChI Key

QDLMOYTYIZNLEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.433

Distribution Coefficient, logD

4.422

Water Solubility, LogSw

-4.17

Polar Surface Area

58.977

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

5.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with C168-0534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C168-0534?
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What is the minimum amount of C168-0534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C168-0534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C168-0534
  • 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 C168-0534 available by request