L585-0521 Screening compound: 1-(3-bromophenyl)-3-{[2-(diethylamino)pyridin-4-yl]methyl}urea

L585-0521 Screening compound: 1-(3-bromophenyl)-3-{[2-(diethylamino)pyridin-4-yl]methyl}urea
L585-0521 Screening compound: 1-(3-bromophenyl)-3-{[2-(diethylamino)pyridin-4-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L585-0521
1-(3-bromophenyl)-3-{[2-(diethylamino)pyridin-4-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

L585-0521

Molecular Formula

C17H21BrN4O (C17 H21 BrN4 O)

Compound Name

1-(3-bromophenyl)-3-{[2-(diethylamino)pyridin-4-yl]methyl}urea

IUPAC name

1-(3-bromophenyl)-3-{[2-(diethylamino)pyridin-4-yl]methyl}urea

SMILES

CCN(CC)c1nccc(CNC(Nc2cccc(Br)c2)=O)c1

InChI

InChI=1S/C17H21BrN4O/c1-3-22(4-2)16-10-13(8-9-19-16)12-20-17(23)21-15-7-5-6-14(18)11-15/h5-11H,3-4,12H2,1-2H3,(H2,20,21,23)

InChI Key

DDEORZQGYXIBLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27463892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.987

Distribution Coefficient, logD

3.866

Water Solubility, LogSw

-4.00

Polar Surface Area

45.111

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

6.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

L585-0521 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with L585-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L585-0521?
Check Price and Availability of L585-0521, 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 L585-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L585-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L585-0521
  • 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 L585-0521 available by request