L891-0412 Screening compound: 3-[(3-chloro-4-methylphenyl)carbamoyl]-7-[(1E)-2-phenylethenyl]-4H,7H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

L891-0412 Screening compound: 3-[(3-chloro-4-methylphenyl)carbamoyl]-7-[(1E)-2-phenylethenyl]-4H,7H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
L891-0412 Screening compound: 3-[(3-chloro-4-methylphenyl)carbamoyl]-7-[(1E)-2-phenylethenyl]-4H,7H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound L891-0412
3-[(3-chloro-4-methylphenyl)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

L891-0412

Molecular Formula

C23H19ClN4O3 (C23 H19 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(NC(c1c(NC(C(O)=O)=CC2/C=C/c3ccccc3)n2nc1)=O)c1)c1Cl

InChI

InChI=1S/C23H19ClN4O3/c1-14-7-9-16(11-19(14)24)26-22(29)18-13-25-28-17(10-8-15-5-3-2-4-6-15)12-20(23(30)31)27-21(18)28/h2-13,17,27H,1H3,(H,26,29)(H,30,31)/t17-/m0/s1

InChI Key

BZOFFJFKYMEXLX-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27484432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.88

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

5.088

Distribution Coefficient, logD

2.786

Water Solubility, LogSw

-4.99

Polar Surface Area

76.497

Acid Dissociation Constant (pKa)

5.10

Base Dissociation Constant (pKb)

-3.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

L891-0412 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with L891-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L891-0412?
Check Price and Availability of L891-0412, 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 L891-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L891-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L891-0412
  • 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 L891-0412 available by request