E641-3298 Screening compound: 1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-[3-(4-methylpiperidin-1-yl)propyl]urea

E641-3298 Screening compound: 1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-[3-(4-methylpiperidin-1-yl)propyl]urea
E641-3298 Screening compound: 1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-[3-(4-methylpiperidin-1-yl)propyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E641-3298
1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-[3-(4-methylpiperidin-1-yl)propyl]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

E641-3298

Molecular Formula

C25H40N4O3 (C25 H40 N4 O3)

Compound Name

1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-[3-(4-methylpiperidin-1-yl)propyl]urea

IUPAC name

1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-[3-(4-methylpiperidin-1-yl)propyl]urea

SMILES

CCOc(cccc1)c1NC(N(CCCN1CCC(C)CC1)C(CC1)CCN1C(C)=O)=O

InChI

InChI=1S/C25H40N4O3/c1-4-32-24-9-6-5-8-23(24)26-25(31)29(22-12-18-28(19-13-22)21(3)30)15-7-14-27-16-10-20(2)11-17-27/h5-6,8-9,20,22H,4,7,10-19H2,1-3H3,(H,26,31)

InChI Key

AKQUYRMWGTXKGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.774

Distribution Coefficient, logD

1.723

Water Solubility, LogSw

-3.73

Polar Surface Area

51.912

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

9.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.00

E641-3298 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E641-3298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E641-3298?
Check Price and Availability of E641-3298, 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 E641-3298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E641-3298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E641-3298
  • 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 E641-3298 available by request