L857-2439 Screening compound: N1-cyclopentyl-N4-[(4-fluorophenyl)methyl]phthalazine-1,4-diamine

L857-2439 Screening compound: N1-cyclopentyl-N4-[(4-fluorophenyl)methyl]phthalazine-1,4-diamine
L857-2439 Screening compound: N1-cyclopentyl-N4-[(4-fluorophenyl)methyl]phthalazine-1,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound L857-2439
N1-cyclopentyl-N4-[(4-fluorophenyl)methyl]phthalazine-1,4-diamine

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

L857-2439

Molecular Formula

C20H21FN4 (C20 H21 FN4)

Compound Name

N1-cyclopentyl-N4-[(4-fluorophenyl)methyl]phthalazine-1,4-diamine

IUPAC name

N1-cyclopentyl-N4-[(4-fluorophenyl)methyl]phthalazine-14-diamine

SMILES

Fc1ccc(CNc(c2ccccc22)nnc2NC2CCCC2)cc1

InChI

InChI=1S/C20H21FN4/c21-15-11-9-14(10-12-15)13-22-19-17-7-3-4-8-18(17)20(25-24-19)23-16-5-1-2-6-16/h3-4,7-12,16H,1-2,5-6,13H2,(H,22,24)(H,23,25)

InChI Key

KHEUTYXSMFTLDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27480876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.41

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.108

Distribution Coefficient, logD

4.104

Water Solubility, LogSw

-4.38

Polar Surface Area

43.550

Acid Dissociation Constant (pKa)

17.87

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

L857-2439 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with L857-2439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L857-2439?
Check Price and Availability of L857-2439, 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 L857-2439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L857-2439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L857-2439
  • 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 L857-2439 available by request