E942-0380 Screening compound: 3-({5-[(azepan-1-yl)methyl]furan-2-yl}methyl)-1-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea

E942-0380 Screening compound: 3-({5-[(azepan-1-yl)methyl]furan-2-yl}methyl)-1-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
E942-0380 Screening compound: 3-({5-[(azepan-1-yl)methyl]furan-2-yl}methyl)-1-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E942-0380
3-({5-[(azepan-1-yl)methyl]furan-2-yl}methyl)-1-[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

E942-0380

Molecular Formula

C26H34N4O3 (C26 H34 N4 O3)

Compound Name

3-({5-[(azepan-1-yl)methyl]furan-2-yl}methyl)-1-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea

IUPAC name

3-({5-[(azepan-1-yl)methyl]furan-2-yl}methyl)-1-[2-(2-methylpropyl)-1-oxo-12-dihydroisoquinolin-4-yl]urea

SMILES

CC(C)CN(C=C(c1c2cccc1)NC(NCc1ccc(CN3CCCCCC3)o1)=O)C2=O

InChI

InChI=1S/C26H34N4O3/c1-19(2)16-30-18-24(22-9-5-6-10-23(22)25(30)31)28-26(32)27-15-20-11-12-21(33-20)17-29-13-7-3-4-8-14-29/h5-6,9-12,18-19H,3-4,7-8,13-17H2,1-2H3,(H2,27,28,32)

InChI Key

XUQILEYNPBDLTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14929039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.097

Distribution Coefficient, logD

2.029

Water Solubility, LogSw

-4.09

Polar Surface Area

62.136

Acid Dissociation Constant (pKa)

8.77

Base Dissociation Constant (pKb)

9.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

E942-0380 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS Targets (44014 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with E942-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E942-0380?
Check Price and Availability of E942-0380, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E942-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E942-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E942-0380
  • 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 E942-0380 available by request