L421-2054 Screening compound: 1-[6-ethyl-1-phenyl-3-(thiophen-2-yl)-1H,6H-pyrrolo[2,3-c]pyrazole-5-carbonyl]-4-(2-fluorophenyl)piperazine

L421-2054 Screening compound: 1-[6-ethyl-1-phenyl-3-(thiophen-2-yl)-1H,6H-pyrrolo[2,3-c]pyrazole-5-carbonyl]-4-(2-fluorophenyl)piperazine
L421-2054 Screening compound: 1-[6-ethyl-1-phenyl-3-(thiophen-2-yl)-1H,6H-pyrrolo[2,3-c]pyrazole-5-carbonyl]-4-(2-fluorophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound L421-2054
1-[6-ethyl-1-phenyl-3-(thiophen-2-yl)-1H,6H-pyrrolo[2,3-c]pyrazole-5-carbonyl]-4-(2-fluorophenyl)piperazine

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

L421-2054

Molecular Formula

C28H26FN5OS (C28 H26 FN5 OS)

Compound Name

1-[6-ethyl-1-phenyl-3-(thiophen-2-yl)-1H,6H-pyrrolo[2,3-c]pyrazole-5-carbonyl]-4-(2-fluorophenyl)piperazine

IUPAC name

1-[6-ethyl-1-phenyl-3-(thiophen-2-yl)-1H6H-pyrrolo[23-c]pyrazole-5-carbonyl]-4-(2-fluorophenyl)piperazine

SMILES

CCn(c(C(N(CC1)CCN1c(cccc1)c1F)=O)c1)c2c1c(-c1cccs1)nn2-c1ccccc1

InChI

InChI=1S/C28H26FN5OS/c1-2-33-24(28(35)32-16-14-31(15-17-32)23-12-7-6-11-22(23)29)19-21-26(25-13-8-18-36-25)30-34(27(21)33)20-9-4-3-5-10-20/h3-13,18-19H,2,14-17H2,1H3

InChI Key

MXWVQLYTVGXVIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15126884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.61

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.712

Distribution Coefficient, logD

5.712

Water Solubility, LogSw

-5.63

Polar Surface Area

36.660

Acid Dissociation Constant (pKa)

26.07

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

L421-2054 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 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 L421-2054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L421-2054?
Check Price and Availability of L421-2054, 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 L421-2054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L421-2054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L421-2054
  • 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 L421-2054 available by request