E942-0286 Screening compound: 3-[(2-fluorophenyl)methyl]-N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-1,3-diazinane-1-carboxamide

E942-0286 Screening compound: 3-[(2-fluorophenyl)methyl]-N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-1,3-diazinane-1-carboxamide
E942-0286 Screening compound: 3-[(2-fluorophenyl)methyl]-N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-1,3-diazinane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E942-0286
3-[(2-fluorophenyl)methyl]-N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-1,3-diazinane-1-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

E942-0286

Molecular Formula

C25H29FN4O2 (C25 H29 FN4 O2)

Compound Name

3-[(2-fluorophenyl)methyl]-N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-1,3-diazinane-1-carboxamide

IUPAC name

3-[(2-fluorophenyl)methyl]-N-[2-(2-methylpropyl)-1-oxo-12-dihydroisoquinolin-4-yl]-13-diazinane-1-carboxamide

SMILES

CC(C)CN(C=C(c1c2cccc1)NC(N1CN(Cc(cccc3)c3F)CCC1)=O)C2=O

InChI

InChI=1S/C25H29FN4O2/c1-18(2)14-30-16-23(20-9-4-5-10-21(20)24(30)31)27-25(32)29-13-7-12-28(17-29)15-19-8-3-6-11-22(19)26/h3-6,8-11,16,18H,7,12-15,17H2,1-2H3,(H,27,32)

InChI Key

SKFIAQPBZZHDHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14928986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.179

Distribution Coefficient, logD

4.130

Water Solubility, LogSw

-4.10

Polar Surface Area

47.185

Acid Dissociation Constant (pKa)

8.44

Base Dissociation Constant (pKb)

5.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

E942-0286 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E942-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E942-0286?
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What is the minimum amount of E942-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E942-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E942-0286
  • 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 E942-0286 available by request