L369-0061 Screening compound: 3-{[5-(3-methylphenyl)pyrimidin-2-yl]amino}-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

L369-0061 Screening compound: 3-{[5-(3-methylphenyl)pyrimidin-2-yl]amino}-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
L369-0061 Screening compound: 3-{[5-(3-methylphenyl)pyrimidin-2-yl]amino}-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L369-0061
3-{[5-(3-methylphenyl)pyrimidin-2-yl]amino}-N-(1,2,3,4-tetrahydronaphthalen-1-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

L369-0061

Molecular Formula

C28H26N4O (C28 H26 N4 O)

Compound Name

3-{[5-(3-methylphenyl)pyrimidin-2-yl]amino}-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

IUPAC name

3-{[5-(3-methylphenyl)pyrimidin-2-yl]amino}-N-(1234-tetrahydronaphthalen-1-yl)benzamide

SMILES

Cc1cccc(-c2cnc(Nc3cccc(C(NC(CCC4)c5c4cccc5)=O)c3)nc2)c1

InChI

InChI=1S/C28H26N4O/c1-19-7-4-10-21(15-19)23-17-29-28(30-18-23)31-24-12-5-11-22(16-24)27(33)32-26-14-6-9-20-8-2-3-13-25(20)26/h2-5,7-8,10-13,15-18,26H,6,9,14H2,1H3,(H,32,33)(H,29,30,31)/t26-/m0/s1

InChI Key

BWJWBAFGZMAHHO-SANMLTNESA-N

MDL Number (MFCD)

MFCD27248342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.016

Distribution Coefficient, logD

6.016

Water Solubility, LogSw

-5.24

Polar Surface Area

53.885

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

L369-0061 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 L369-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L369-0061?
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What is the minimum amount of L369-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L369-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L369-0061
  • 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 L369-0061 available by request