L369-0549 Screening compound: N-benzyl-3-{[5-(3-fluorophenyl)pyrimidin-2-yl]amino}-N-methylbenzamide

L369-0549 Screening compound: N-benzyl-3-{[5-(3-fluorophenyl)pyrimidin-2-yl]amino}-N-methylbenzamide
L369-0549 Screening compound: N-benzyl-3-{[5-(3-fluorophenyl)pyrimidin-2-yl]amino}-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L369-0549
N-benzyl-3-{[5-(3-fluorophenyl)pyrimidin-2-yl]amino}-N-methylbenzamide

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

L369-0549

Molecular Formula

C25H21FN4O (C25 H21 FN4 O)

Compound Name

N-benzyl-3-{[5-(3-fluorophenyl)pyrimidin-2-yl]amino}-N-methylbenzamide

IUPAC name

N-benzyl-3-{[5-(3-fluorophenyl)pyrimidin-2-yl]amino}-N-methylbenzamide

SMILES

CN(Cc1ccccc1)C(c1cccc(Nc(nc2)ncc2-c2cccc(F)c2)c1)=O

InChI

InChI=1S/C25H21FN4O/c1-30(17-18-7-3-2-4-8-18)24(31)20-10-6-12-23(14-20)29-25-27-15-21(16-28-25)19-9-5-11-22(26)13-19/h2-16H,17H2,1H3,(H,27,28,29)

InChI Key

BFNNEMPIZXPZEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27248569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.914

Distribution Coefficient, logD

4.914

Water Solubility, LogSw

-4.50

Polar Surface Area

45.779

Acid Dissociation Constant (pKa)

19.22

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

L369-0549 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L369-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L369-0549?
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What is the minimum amount of L369-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L369-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L369-0549
  • 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 L369-0549 available by request