L891-0395 Screening compound: 3-[(3-chloro-4-methoxyphenyl)carbamoyl]-7-(4-ethoxyphenyl)-4H,7H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

L891-0395 Screening compound: 3-[(3-chloro-4-methoxyphenyl)carbamoyl]-7-(4-ethoxyphenyl)-4H,7H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
L891-0395 Screening compound: 3-[(3-chloro-4-methoxyphenyl)carbamoyl]-7-(4-ethoxyphenyl)-4H,7H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound L891-0395
3-[(3-chloro-4-methoxyphenyl)carbamoyl]-7-(4-ethoxyphenyl)-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

L891-0395

Molecular Formula

C23H21ClN4O5 (C23 H21 ClN4 O5)

Compound Name

3-[(3-chloro-4-methoxyphenyl)carbamoyl]-7-(4-ethoxyphenyl)-4H,7H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

IUPAC name

3-[(3-chloro-4-methoxyphenyl)carbamoyl]-7-(4-ethoxyphenyl)-4H7H-pyrazolo[15-a]pyrimidine-5-carboxylic acid

SMILES

CCOc1ccc(C2n3ncc(C(Nc(cc4)cc(Cl)c4OC)=O)c3NC(C(O)=O)=C2)cc1

InChI

InChI=1S/C23H21ClN4O5/c1-3-33-15-7-4-13(5-8-15)19-11-18(23(30)31)27-21-16(12-25-28(19)21)22(29)26-14-6-9-20(32-2)17(24)10-14/h4-12,19,27H,3H2,1-2H3,(H,26,29)(H,30,31)/t19-/m0/s1

InChI Key

FMMAJJNOVXNMGN-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27484424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.748

Distribution Coefficient, logD

1.499

Water Solubility, LogSw

-3.95

Polar Surface Area

91.299

Acid Dissociation Constant (pKa)

5.15

Base Dissociation Constant (pKb)

-3.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

L891-0395 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with L891-0395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L891-0395?
Check Price and Availability of L891-0395, 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 L891-0395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L891-0395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L891-0395
  • 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 L891-0395 available by request