L538-0819 Screening compound: N-[1-(4-methylphenyl)ethyl]-4-(4-phenoxypyrimidin-2-yl)benzamide

L538-0819 Screening compound: N-[1-(4-methylphenyl)ethyl]-4-(4-phenoxypyrimidin-2-yl)benzamide
L538-0819 Screening compound: N-[1-(4-methylphenyl)ethyl]-4-(4-phenoxypyrimidin-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L538-0819
N-[1-(4-methylphenyl)ethyl]-4-(4-phenoxypyrimidin-2-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

L538-0819

Molecular Formula

C26H23N3O2 (C26 H23 N3 O2)

Compound Name

N-[1-(4-methylphenyl)ethyl]-4-(4-phenoxypyrimidin-2-yl)benzamide

IUPAC name

N-[1-(4-methylphenyl)ethyl]-4-(4-phenoxypyrimidin-2-yl)benzamide

SMILES

CC(c1ccc(C)cc1)NC(c(cc1)ccc1-c1nc(Oc2ccccc2)ccn1)=O

InChI

InChI=1S/C26H23N3O2/c1-18-8-10-20(11-9-18)19(2)28-26(30)22-14-12-21(13-15-22)25-27-17-16-24(29-25)31-23-6-4-3-5-7-23/h3-17,19H,1-2H3,(H,28,30)/t19-/m0/s1

InChI Key

JDZJDDLTIPVDCD-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15130081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.921

Distribution Coefficient, logD

4.921

Water Solubility, LogSw

-4.63

Polar Surface Area

49.195

Acid Dissociation Constant (pKa)

11.76

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.50

L538-0819 in Drug Discovery

Included in Screening Libraries

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

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with L538-0819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L538-0819?
Check Price and Availability of L538-0819, 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 L538-0819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L538-0819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L538-0819
  • 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 L538-0819 available by request