E641-3275 Screening compound: 1-(1-acetylpiperidin-4-yl)-3-(2-chlorophenyl)-1-[3-(4-methylpiperidin-1-yl)propyl]urea

E641-3275 Screening compound: 1-(1-acetylpiperidin-4-yl)-3-(2-chlorophenyl)-1-[3-(4-methylpiperidin-1-yl)propyl]urea
E641-3275 Screening compound: 1-(1-acetylpiperidin-4-yl)-3-(2-chlorophenyl)-1-[3-(4-methylpiperidin-1-yl)propyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E641-3275
1-(1-acetylpiperidin-4-yl)-3-(2-chlorophenyl)-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

E641-3275

Molecular Formula

C23H35ClN4O2 (C23 H35 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

CC1CCN(CCCN(C(CC2)CCN2C(C)=O)C(Nc(cccc2)c2Cl)=O)CC1

InChI

InChI=1S/C23H35ClN4O2/c1-18-8-14-26(15-9-18)12-5-13-28(20-10-16-27(17-11-20)19(2)29)23(30)25-22-7-4-3-6-21(22)24/h3-4,6-7,18,20H,5,8-17H2,1-2H3,(H,25,30)

InChI Key

WKGSBHJSJPWONR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.01

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.650

Distribution Coefficient, logD

1.599

Water Solubility, LogSw

-3.73

Polar Surface Area

44.702

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

9.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.20

E641-3275 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-Inflammatory Library (24602 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E641-3275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E641-3275?
Check Price and Availability of E641-3275, 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 E641-3275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E641-3275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E641-3275
  • 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 E641-3275 available by request