E641-1284 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(1-benzylpiperidin-4-yl)-3-(3-chloro-2-methylphenyl)urea

E641-1284 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(1-benzylpiperidin-4-yl)-3-(3-chloro-2-methylphenyl)urea
E641-1284 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(1-benzylpiperidin-4-yl)-3-(3-chloro-2-methylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E641-1284
1-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(1-benzylpiperidin-4-yl)-3-(3-chloro-2-methylphenyl)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

E641-1284

Molecular Formula

C28H30ClN3O3 (C28 H30 ClN3 O3)

Compound Name

1-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(1-benzylpiperidin-4-yl)-3-(3-chloro-2-methylphenyl)urea

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-1-(1-benzylpiperidin-4-yl)-3-(3-chloro-2-methylphenyl)urea

SMILES

Cc(c(NC(N(Cc(cc1)cc2c1OCO2)C1CCN(Cc2ccccc2)CC1)=O)ccc1)c1Cl

InChI

InChI=1S/C28H30ClN3O3/c1-20-24(29)8-5-9-25(20)30-28(33)32(18-22-10-11-26-27(16-22)35-19-34-26)23-12-14-31(15-13-23)17-21-6-3-2-4-7-21/h2-11,16,23H,12-15,17-19H2,1H3,(H,30,33)

InChI Key

SNHUNCFEIMHHCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.02

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.146

Distribution Coefficient, logD

5.299

Water Solubility, LogSw

-6.06

Polar Surface Area

44.201

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

References: we are preparing a list of scientific research reports with E641-1284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E641-1284?
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What is the minimum amount of E641-1284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E641-1284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E641-1284
  • 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 E641-1284 available by request