E641-0482 Screening compound: 3-(1-acetylpiperidin-4-yl)-3-[(furan-2-yl)methyl]-1-(3,4,5-trimethoxyphenyl)urea

E641-0482 Screening compound: 3-(1-acetylpiperidin-4-yl)-3-[(furan-2-yl)methyl]-1-(3,4,5-trimethoxyphenyl)urea
E641-0482 Screening compound: 3-(1-acetylpiperidin-4-yl)-3-[(furan-2-yl)methyl]-1-(3,4,5-trimethoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E641-0482
3-(1-acetylpiperidin-4-yl)-3-[(furan-2-yl)methyl]-1-(3,4,5-trimethoxyphenyl)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

E641-0482

Molecular Formula

C22H29N3O6 (C22 H29 N3 O6)

Compound Name

3-(1-acetylpiperidin-4-yl)-3-[(furan-2-yl)methyl]-1-(3,4,5-trimethoxyphenyl)urea

IUPAC name

3-(1-acetylpiperidin-4-yl)-3-[(furan-2-yl)methyl]-1-(345-trimethoxyphenyl)urea

SMILES

CC(N(CC1)CCC1N(Cc1ccco1)C(Nc(cc1OC)cc(OC)c1OC)=O)=O

InChI

InChI=1S/C22H29N3O6/c1-15(26)24-9-7-17(8-10-24)25(14-18-6-5-11-31-18)22(27)23-16-12-19(28-2)21(30-4)20(13-16)29-3/h5-6,11-13,17H,7-10,14H2,1-4H3,(H,23,27)

InChI Key

DMFZUDIRWKJADO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.275

Distribution Coefficient, logD

2.275

Water Solubility, LogSw

-3.05

Polar Surface Area

72.166

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

E641-0482 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E641-0482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E641-0482?
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What is the minimum amount of E641-0482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E641-0482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E641-0482
  • 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 E641-0482 available by request