E641-3308 Screening compound: ethyl 2-(4-{[(1-acetylpiperidin-4-yl)[3-(4-methylpiperidin-1-yl)propyl]carbamoyl]amino}phenyl)acetate

E641-3308 Screening compound: ethyl 2-(4-{[(1-acetylpiperidin-4-yl)[3-(4-methylpiperidin-1-yl)propyl]carbamoyl]amino}phenyl)acetate
E641-3308 Screening compound: ethyl 2-(4-{[(1-acetylpiperidin-4-yl)[3-(4-methylpiperidin-1-yl)propyl]carbamoyl]amino}phenyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E641-3308
ethyl 2-(4-{[(1-acetylpiperidin-4-yl)[3-(4-methylpiperidin-1-yl)propyl]carbamoyl]amino}phenyl)acetate

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

E641-3308

Molecular Formula

C27H42N4O4 (C27 H42 N4 O4)

Compound Name

ethyl 2-(4-{[(1-acetylpiperidin-4-yl)[3-(4-methylpiperidin-1-yl)propyl]carbamoyl]amino}phenyl)acetate

IUPAC name

ethyl 2-(4-{[(1-acetylpiperidin-4-yl)[3-(4-methylpiperidin-1-yl)propyl]carbamoyl]amino}phenyl)acetate

SMILES

CCOC(Cc(cc1)ccc1NC(N(CCCN1CCC(C)CC1)C(CC1)CCN1C(C)=O)=O)=O

InChI

InChI=1S/C27H42N4O4/c1-4-35-26(33)20-23-6-8-24(9-7-23)28-27(34)31(25-12-18-30(19-13-25)22(3)32)15-5-14-29-16-10-21(2)11-17-29/h6-9,21,25H,4-5,10-20H2,1-3H3,(H,28,34)

InChI Key

XQFYOZHDOPJBJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.259

Distribution Coefficient, logD

1.207

Water Solubility, LogSw

-3.40

Polar Surface Area

65.559

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

9.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

E641-3308 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E641-3308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E641-3308?
Check Price and Availability of E641-3308, 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 E641-3308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E641-3308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E641-3308
  • 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 E641-3308 available by request