E641-0305 Screening compound: 3-(1-benzylpiperidin-4-yl)-1-(3-chloro-4-methylphenyl)-3-[(furan-2-yl)methyl]urea

E641-0305 Screening compound: 3-(1-benzylpiperidin-4-yl)-1-(3-chloro-4-methylphenyl)-3-[(furan-2-yl)methyl]urea
E641-0305 Screening compound: 3-(1-benzylpiperidin-4-yl)-1-(3-chloro-4-methylphenyl)-3-[(furan-2-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E641-0305
3-(1-benzylpiperidin-4-yl)-1-(3-chloro-4-methylphenyl)-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

E641-0305

Molecular Formula

C25H28ClN3O2 (C25 H28 ClN3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(NC(N(Cc1ccco1)C1CCN(Cc2ccccc2)CC1)=O)c1)c1Cl

InChI

InChI=1S/C25H28ClN3O2/c1-19-9-10-21(16-24(19)26)27-25(30)29(18-23-8-5-15-31-23)22-11-13-28(14-12-22)17-20-6-3-2-4-7-20/h2-10,15-16,22H,11-14,17-18H2,1H3,(H,27,30)

InChI Key

FNPCTIRYTVJNBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.97

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.030

Distribution Coefficient, logD

5.183

Water Solubility, LogSw

-6.06

Polar Surface Area

35.533

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

E641-0305 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with E641-0305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E641-0305?
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What is the minimum amount of E641-0305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E641-0305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E641-0305
  • 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 E641-0305 available by request