L534-0779 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-phenoxypyrimidin-4-yl)benzamide

L534-0779 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-phenoxypyrimidin-4-yl)benzamide
L534-0779 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-phenoxypyrimidin-4-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L534-0779
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-phenoxypyrimidin-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

L534-0779

Molecular Formula

C25H19N3O4 (C25 H19 N3 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-phenoxypyrimidin-4-yl)benzamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-(6-phenoxypyrimidin-4-yl)benzamide

SMILES

O=C(c1cc(-c2ncnc(Oc3ccccc3)c2)ccc1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C25H19N3O4/c29-25(26-14-17-9-10-22-23(11-17)31-16-30-22)19-6-4-5-18(12-19)21-13-24(28-15-27-21)32-20-7-2-1-3-8-20/h1-13,15H,14,16H2,(H,26,29)

InChI Key

USXWREBKOYICLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27460348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.246

Distribution Coefficient, logD

4.246

Water Solubility, LogSw

-4.54

Polar Surface Area

67.954

Acid Dissociation Constant (pKa)

13.61

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

L534-0779 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L534-0779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L534-0779?
Check Price and Availability of L534-0779, 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 L534-0779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L534-0779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L534-0779
  • 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 L534-0779 available by request