L891-0398 Screening compound: 3-[(3-chloro-4-methoxyphenyl)carbamoyl]-7-(2-fluorophenyl)-4H,7H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

L891-0398 Screening compound: 3-[(3-chloro-4-methoxyphenyl)carbamoyl]-7-(2-fluorophenyl)-4H,7H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
L891-0398 Screening compound: 3-[(3-chloro-4-methoxyphenyl)carbamoyl]-7-(2-fluorophenyl)-4H,7H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound L891-0398
3-[(3-chloro-4-methoxyphenyl)carbamoyl]-7-(2-fluorophenyl)-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

L891-0398

Molecular Formula

C21H16ClFN4O4 (C21 H16 ClFN4 O4)

Compound Name

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

IUPAC name

3-[(3-chloro-4-methoxyphenyl)carbamoyl]-7-(2-fluorophenyl)-4H7H-pyrazolo[15-a]pyrimidine-5-carboxylic acid

SMILES

COc(ccc(NC(c1c(NC(C(O)=O)=CC2c(cccc3)c3F)n2nc1)=O)c1)c1Cl

InChI

InChI=1S/C21H16ClFN4O4/c1-31-18-7-6-11(8-14(18)22)25-20(28)13-10-24-27-17(12-4-2-3-5-15(12)23)9-16(21(29)30)26-19(13)27/h2-10,17,26H,1H3,(H,25,28)(H,29,30)/t17-/m0/s1

InChI Key

VHCMOVJZNDMKEJ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD18171969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.83

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.477

Distribution Coefficient, logD

1.229

Water Solubility, LogSw

-3.89

Polar Surface Area

84.175

Acid Dissociation Constant (pKa)

5.15

Base Dissociation Constant (pKb)

-3.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.50

L891-0398 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L891-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L891-0398?
Check Price and Availability of L891-0398, 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 L891-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L891-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L891-0398
  • 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 L891-0398 available by request