E641-0325 Screening compound: 3-(1-benzylpiperidin-4-yl)-1-(4-ethoxyphenyl)-3-[(furan-2-yl)methyl]urea

E641-0325 Screening compound: 3-(1-benzylpiperidin-4-yl)-1-(4-ethoxyphenyl)-3-[(furan-2-yl)methyl]urea
E641-0325 Screening compound: 3-(1-benzylpiperidin-4-yl)-1-(4-ethoxyphenyl)-3-[(furan-2-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E641-0325
3-(1-benzylpiperidin-4-yl)-1-(4-ethoxyphenyl)-3-[(furan-2-yl)methyl]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

E641-0325

Molecular Formula

C26H31N3O3 (C26 H31 N3 O3)

Compound Name

3-(1-benzylpiperidin-4-yl)-1-(4-ethoxyphenyl)-3-[(furan-2-yl)methyl]urea

IUPAC name

3-(1-benzylpiperidin-4-yl)-1-(4-ethoxyphenyl)-3-[(furan-2-yl)methyl]urea

SMILES

CCOc(cc1)ccc1NC(N(Cc1ccco1)C1CCN(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C26H31N3O3/c1-2-31-24-12-10-22(11-13-24)27-26(30)29(20-25-9-6-18-32-25)23-14-16-28(17-15-23)19-21-7-4-3-5-8-21/h3-13,18,23H,2,14-17,19-20H2,1H3,(H,27,30)

InChI Key

FLKOLZQVVNPQIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.009

Distribution Coefficient, logD

4.162

Water Solubility, LogSw

-4.38

Polar Surface Area

42.656

Acid Dissociation Constant (pKa)

14.23

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

E641-0325 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E641-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E641-0325?
Check Price and Availability of E641-0325, 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 E641-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E641-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E641-0325
  • 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 E641-0325 available by request