E641-1442 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-ethylpiperidin-4-yl)-1-(2-methoxyphenyl)urea

E641-1442 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-ethylpiperidin-4-yl)-1-(2-methoxyphenyl)urea
E641-1442 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-ethylpiperidin-4-yl)-1-(2-methoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E641-1442
3-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-ethylpiperidin-4-yl)-1-(2-methoxyphenyl)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

E641-1442

Molecular Formula

C23H29N3O4 (C23 H29 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC1)CCC1N(Cc(cc1)cc2c1OCO2)C(Nc(cccc1)c1OC)=O

InChI

InChI=1S/C23H29N3O4/c1-3-25-12-10-18(11-13-25)26(15-17-8-9-21-22(14-17)30-16-29-21)23(27)24-19-6-4-5-7-20(19)28-2/h4-9,14,18H,3,10-13,15-16H2,1-2H3,(H,24,27)

InChI Key

PTBAKWUMBNQXDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.938

Distribution Coefficient, logD

2.011

Water Solubility, LogSw

-3.80

Polar Surface Area

51.828

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

9.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

E641-1442 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

CNS Targets (44014 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system

References: we are preparing a list of scientific research reports with E641-1442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E641-1442?
Check Price and Availability of E641-1442, 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 E641-1442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E641-1442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E641-1442
  • 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 E641-1442 available by request