L011-0059 Screening compound: N-(3-chloro-4-fluorophenyl)-3-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]benzamide

L011-0059 Screening compound: N-(3-chloro-4-fluorophenyl)-3-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]benzamide
L011-0059 Screening compound: N-(3-chloro-4-fluorophenyl)-3-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L011-0059
N-(3-chloro-4-fluorophenyl)-3-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]benzamide

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

L011-0059

Molecular Formula

C21H18ClFN4O (C21 H18 ClFN4 O)

Compound Name

N-(3-chloro-4-fluorophenyl)-3-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]benzamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-3-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]benzamide

SMILES

O=C(c1cc(-c2ncnc(N3CCCC3)c2)ccc1)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C21H18ClFN4O/c22-17-11-16(6-7-18(17)23)26-21(28)15-5-3-4-14(10-15)19-12-20(25-13-24-19)27-8-1-2-9-27/h3-7,10-13H,1-2,8-9H2,(H,26,28)

InChI Key

IEYCZFYMMBYAHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27226307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.277

Distribution Coefficient, logD

5.166

Water Solubility, LogSw

-5.98

Polar Surface Area

46.150

Acid Dissociation Constant (pKa)

7.94

Base Dissociation Constant (pKb)

4.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

L011-0059 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with L011-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L011-0059?
Check Price and Availability of L011-0059, 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 L011-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L011-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L011-0059
  • 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 L011-0059 available by request