6434-3780 Screening compound: N-{5-[4-(ethylsulfanyl)phthalazin-1-yl]-2-methylphenyl}-4-fluorobenzamide

6434-3780 Screening compound: N-{5-[4-(ethylsulfanyl)phthalazin-1-yl]-2-methylphenyl}-4-fluorobenzamide
6434-3780 Screening compound: N-{5-[4-(ethylsulfanyl)phthalazin-1-yl]-2-methylphenyl}-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6434-3780
N-{5-[4-(ethylsulfanyl)phthalazin-1-yl]-2-methylphenyl}-4-fluorobenzamide

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

6434-3780

Molecular Formula

C24H20FN3OS (C24 H20 FN3 OS)

Compound Name

N-{5-[4-(ethylsulfanyl)phthalazin-1-yl]-2-methylphenyl}-4-fluorobenzamide

IUPAC name

N-{5-[4-(ethylsulfanyl)phthalazin-1-yl]-2-methylphenyl}-4-fluorobenzamide

SMILES

CCSc1nnc(-c2cc(NC(c(cc3)ccc3F)=O)c(C)cc2)c2ccccc12

InChI

InChI=1S/C24H20FN3OS/c1-3-30-24-20-7-5-4-6-19(20)22(27-28-24)17-9-8-15(2)21(14-17)26-23(29)16-10-12-18(25)13-11-16/h4-14H,3H2,1-2H3,(H,26,29)

InChI Key

HEPIULICUBBDCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04163672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.503

Distribution Coefficient, logD

5.502

Water Solubility, LogSw

-5.61

Polar Surface Area

44.734

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

3.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

6434-3780 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

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

CORONAVIRUS Library (20774 compounds)

Cardiovascular Library (22201 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6434-3780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6434-3780?
Check Price and Availability of 6434-3780, 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 6434-3780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6434-3780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6434-3780
  • 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 6434-3780 available by request