E641-1447 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-ethylpiperidin-4-yl)-1-phenylurea

E641-1447 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-ethylpiperidin-4-yl)-1-phenylurea
E641-1447 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-ethylpiperidin-4-yl)-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound E641-1447
3-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-ethylpiperidin-4-yl)-1-phenylurea

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

E641-1447

Molecular Formula

C22H27N3O3 (C22 H27 N3 O3)

Compound Name

3-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-ethylpiperidin-4-yl)-1-phenylurea

IUPAC name

3-[(2H-13-benzodioxol-5-yl)methyl]-3-(1-ethylpiperidin-4-yl)-1-phenylurea

SMILES

CCN(CC1)CCC1N(Cc(cc1)cc2c1OCO2)C(Nc1ccccc1)=O

InChI

InChI=1S/C22H27N3O3/c1-2-24-12-10-19(11-13-24)25(22(26)23-18-6-4-3-5-7-18)15-17-8-9-20-21(14-17)28-16-27-20/h3-9,14,19H,2,10-13,15-16H2,1H3,(H,23,26)

InChI Key

GIWFSQYTGQATEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.47

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

3.597

Distribution Coefficient, logD

1.670

Water Solubility, LogSw

-3.62

Polar Surface Area

44.896

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

9.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

E641-1447 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E641-1447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E641-1447?
Check Price and Availability of E641-1447, 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 E641-1447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E641-1447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E641-1447
  • 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 E641-1447 available by request