L891-0425 Screening compound: 3-[(3-chlorophenyl)carbamoyl]-7-[(1E)-2-phenylethenyl]-4H,7H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

L891-0425 Screening compound: 3-[(3-chlorophenyl)carbamoyl]-7-[(1E)-2-phenylethenyl]-4H,7H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
L891-0425 Screening compound: 3-[(3-chlorophenyl)carbamoyl]-7-[(1E)-2-phenylethenyl]-4H,7H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound L891-0425
3-[(3-chlorophenyl)carbamoyl]-7-[(1E)-2-phenylethenyl]-4H,7H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

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

L891-0425

Molecular Formula

C22H17ClN4O3 (C22 H17 ClN4 O3)

Compound Name

3-[(3-chlorophenyl)carbamoyl]-7-[(1E)-2-phenylethenyl]-4H,7H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

IUPAC name

3-[(3-chlorophenyl)carbamoyl]-7-[(1E)-2-phenylethenyl]-4H7H-pyrazolo[15-a]pyrimidine-5-carboxylic acid

SMILES

OC(C1=CC(/C=C/c2ccccc2)n2ncc(C(Nc3cccc(Cl)c3)=O)c2N1)=O

InChI

InChI=1S/C22H17ClN4O3/c23-15-7-4-8-16(11-15)25-21(28)18-13-24-27-17(10-9-14-5-2-1-3-6-14)12-19(22(29)30)26-20(18)27/h1-13,17,26H,(H,25,28)(H,29,30)/t17-/m0/s1

InChI Key

XISRCOYOXBDCHW-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27484439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.451

Distribution Coefficient, logD

2.150

Water Solubility, LogSw

-4.48

Polar Surface Area

76.497

Acid Dissociation Constant (pKa)

5.10

Base Dissociation Constant (pKb)

-3.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

4.50

L891-0425 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
  • Receptor's ligands
Structure:
  • Cyclic compounds
Targets:
  • Nuclear receptors
  • GPCR

References: we are preparing a list of scientific research reports with L891-0425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L891-0425?
Check Price and Availability of L891-0425, 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 L891-0425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L891-0425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L891-0425
  • 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 L891-0425 available by request