L793-4401 Screening compound: 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}ethane-1,2-dione

L793-4401 Screening compound: 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}ethane-1,2-dione
L793-4401 Screening compound: 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}ethane-1,2-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound L793-4401
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}ethane-1,2-dione

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

L793-4401

Molecular Formula

C25H26FN3O2 (C25 H26 FN3 O2)

Compound Name

1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}ethane-1,2-dione

IUPAC name

1-[4-(25-dimethylphenyl)piperazin-1-yl]-2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}ethane-12-dione

SMILES

Cc1cc(N(CC2)CCN2C(C(c2cccn2Cc(cc2)ccc2F)=O)=O)c(C)cc1

InChI

InChI=1S/C25H26FN3O2/c1-18-5-6-19(2)23(16-18)27-12-14-28(15-13-27)25(31)24(30)22-4-3-11-29(22)17-20-7-9-21(26)10-8-20/h3-11,16H,12-15,17H2,1-2H3

InChI Key

ZXEJYOFUUJWVMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27475035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.934

Distribution Coefficient, logD

4.934

Water Solubility, LogSw

-4.68

Polar Surface Area

35.174

Acid Dissociation Constant (pKa)

25.98

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

L793-4401 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with L793-4401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L793-4401?
Check Price and Availability of L793-4401, 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 L793-4401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L793-4401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L793-4401
  • 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 L793-4401 available by request