E584-0185 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(1-benzylpiperidin-4-yl)-3-(3,4,5-trimethoxyphenyl)urea

E584-0185 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(1-benzylpiperidin-4-yl)-3-(3,4,5-trimethoxyphenyl)urea
E584-0185 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(1-benzylpiperidin-4-yl)-3-(3,4,5-trimethoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E584-0185
1-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(1-benzylpiperidin-4-yl)-3-(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

E584-0185

Molecular Formula

C30H35N3O6 (C30 H35 N3 O6)

Compound Name

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

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-1-(1-benzylpiperidin-4-yl)-3-(345-trimethoxyphenyl)urea

SMILES

COc1cc(NC(N(Cc(cc2)cc3c2OCO3)C2CCN(Cc3ccccc3)CC2)=O)cc(OC)c1OC

InChI

InChI=1S/C30H35N3O6/c1-35-27-16-23(17-28(36-2)29(27)37-3)31-30(34)33(19-22-9-10-25-26(15-22)39-20-38-25)24-11-13-32(14-12-24)18-21-7-5-4-6-8-21/h4-10,15-17,24H,11-14,18-20H2,1-3H3,(H,31,34)

InChI Key

YKERBZRDAPPJMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14900191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.323

Distribution Coefficient, logD

3.476

Water Solubility, LogSw

-4.16

Polar Surface Area

67.877

Acid Dissociation Constant (pKa)

12.43

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.70

E584-0185 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with E584-0185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E584-0185?
Check Price and Availability of E584-0185, 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 E584-0185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E584-0185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E584-0185
  • 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 E584-0185 available by request