E641-1273 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-benzylpiperidin-4-yl)-1-(3,4-dimethylphenyl)urea

E641-1273 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-benzylpiperidin-4-yl)-1-(3,4-dimethylphenyl)urea
E641-1273 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-benzylpiperidin-4-yl)-1-(3,4-dimethylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E641-1273
3-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-benzylpiperidin-4-yl)-1-(3,4-dimethylphenyl)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

E641-1273

Molecular Formula

C29H33N3O3 (C29 H33 N3 O3)

Compound Name

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

IUPAC name

3-[(2H-13-benzodioxol-5-yl)methyl]-3-(1-benzylpiperidin-4-yl)-1-(34-dimethylphenyl)urea

SMILES

Cc(cc1)c(C)cc1NC(N(Cc(cc1)cc2c1OCO2)C1CCN(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C29H33N3O3/c1-21-8-10-25(16-22(21)2)30-29(33)32(19-24-9-11-27-28(17-24)35-20-34-27)26-12-14-31(15-13-26)18-23-6-4-3-5-7-23/h3-11,16-17,26H,12-15,18-20H2,1-2H3,(H,30,33)

InChI Key

VHCJLTKZUYRSNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.930

Distribution Coefficient, logD

5.083

Water Solubility, LogSw

-5.45

Polar Surface Area

44.899

Acid Dissociation Constant (pKa)

14.77

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

E641-1273 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E641-1273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E641-1273?
Check Price and Availability of E641-1273, 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 E641-1273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E641-1273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E641-1273
  • 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 E641-1273 available by request