L369-0030 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-{[5-(3-methylphenyl)pyrimidin-2-yl]amino}benzamide

L369-0030 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-{[5-(3-methylphenyl)pyrimidin-2-yl]amino}benzamide
L369-0030 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-{[5-(3-methylphenyl)pyrimidin-2-yl]amino}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L369-0030
N-(2H-1,3-benzodioxol-5-yl)-3-{[5-(3-methylphenyl)pyrimidin-2-yl]amino}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

L369-0030

Molecular Formula

C25H20N4O3 (C25 H20 N4 O3)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-3-{[5-(3-methylphenyl)pyrimidin-2-yl]amino}benzamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-3-{[5-(3-methylphenyl)pyrimidin-2-yl]amino}benzamide

SMILES

Cc1cccc(-c2cnc(Nc3cccc(C(Nc(cc4)cc5c4OCO5)=O)c3)nc2)c1

InChI

InChI=1S/C25H20N4O3/c1-16-4-2-5-17(10-16)19-13-26-25(27-14-19)29-20-7-3-6-18(11-20)24(30)28-21-8-9-22-23(12-21)32-15-31-22/h2-14H,15H2,1H3,(H,28,30)(H,26,27,29)

InChI Key

FWBXYCKCTNLNOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27248322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.190

Distribution Coefficient, logD

5.189

Water Solubility, LogSw

-4.92

Polar Surface Area

69.835

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

L369-0030 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L369-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L369-0030?
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What is the minimum amount of L369-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L369-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L369-0030
  • 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 L369-0030 available by request