E942-0268 Screening compound: 1-[3-(3-methylpiperidin-1-yl)propyl]-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea

E942-0268 Screening compound: 1-[3-(3-methylpiperidin-1-yl)propyl]-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
E942-0268 Screening compound: 1-[3-(3-methylpiperidin-1-yl)propyl]-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E942-0268
1-[3-(3-methylpiperidin-1-yl)propyl]-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea

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

E942-0268

Molecular Formula

C23H34N4O2 (C23 H34 N4 O2)

Compound Name

1-[3-(3-methylpiperidin-1-yl)propyl]-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea

IUPAC name

1-[3-(3-methylpiperidin-1-yl)propyl]-3-[2-(2-methylpropyl)-1-oxo-12-dihydroisoquinolin-4-yl]urea

SMILES

CC(C)CN(C=C(c1c2cccc1)NC(NCCCN1CC(C)CCC1)=O)C2=O

InChI

InChI=1S/C23H34N4O2/c1-17(2)14-27-16-21(19-9-4-5-10-20(19)22(27)28)25-23(29)24-11-7-13-26-12-6-8-18(3)15-26/h4-5,9-10,16-18H,6-8,11-15H2,1-3H3,(H2,24,25,29)/t18-/m0/s1

InChI Key

MYCWTIPHPQORDR-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14928973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.004

Distribution Coefficient, logD

0.595

Water Solubility, LogSw

-3.53

Polar Surface Area

54.818

Acid Dissociation Constant (pKa)

8.68

Base Dissociation Constant (pKb)

9.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.50

References: we are preparing a list of scientific research reports with E942-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E942-0268?
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What is the minimum amount of E942-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E942-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E942-0268
  • 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 E942-0268 available by request