L563-0458 Screening compound: 4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(oxolan-2-yl)methyl]benzamide

L563-0458 Screening compound: 4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(oxolan-2-yl)methyl]benzamide
L563-0458 Screening compound: 4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(oxolan-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L563-0458
4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(oxolan-2-yl)methyl]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

L563-0458

Molecular Formula

C22H20FN3O3 (C22 H20 FN3 O3)

Compound Name

4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(oxolan-2-yl)methyl]benzamide

IUPAC name

4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(oxolan-2-yl)methyl]benzamide

SMILES

O=C(c(cc1)ccc1-c(cn1)cnc1Oc(cc1)ccc1F)NCC1OCCC1

InChI

InChI=1S/C22H20FN3O3/c23-18-7-9-19(10-8-18)29-22-25-12-17(13-26-22)15-3-5-16(6-4-15)21(27)24-14-20-2-1-11-28-20/h3-10,12-13,20H,1-2,11,14H2,(H,24,27)/t20-/m1/s1

InChI Key

NYBSBODWFIRRBW-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD27462324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.131

Distribution Coefficient, logD

3.131

Water Solubility, LogSw

-3.41

Polar Surface Area

59.198

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

L563-0458 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with L563-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L563-0458?
Check Price and Availability of L563-0458, 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 L563-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L563-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L563-0458
  • 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 L563-0458 available by request