E641-1263 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-benzylpiperidin-4-yl)-1-(2-methoxyphenyl)urea

E641-1263 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-benzylpiperidin-4-yl)-1-(2-methoxyphenyl)urea
E641-1263 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-benzylpiperidin-4-yl)-1-(2-methoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E641-1263
3-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-benzylpiperidin-4-yl)-1-(2-methoxyphenyl)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

E641-1263

Molecular Formula

C28H31N3O4 (C28 H31 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1NC(N(Cc(cc1)cc2c1OCO2)C1CCN(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C28H31N3O4/c1-33-25-10-6-5-9-24(25)29-28(32)31(19-22-11-12-26-27(17-22)35-20-34-26)23-13-15-30(16-14-23)18-21-7-3-2-4-8-21/h2-12,17,23H,13-16,18-20H2,1H3,(H,29,32)

InChI Key

QPRJFAWCSIYLRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.092

Distribution Coefficient, logD

4.244

Water Solubility, LogSw

-4.88

Polar Surface Area

51.832

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

E641-1263 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system

References: we are preparing a list of scientific research reports with E641-1263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E641-1263?
Check Price and Availability of E641-1263, 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 E641-1263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E641-1263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E641-1263
  • 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 E641-1263 available by request