L090-0446 Screening compound: 1-(4-chlorophenyl)-6-methyl-7-oxo-N-[3-(trifluoromethyl)phenyl]-1H,6H,7H-pyrazolo[4,3-d]pyrimidine-3-carboxamide

L090-0446 Screening compound: 1-(4-chlorophenyl)-6-methyl-7-oxo-N-[3-(trifluoromethyl)phenyl]-1H,6H,7H-pyrazolo[4,3-d]pyrimidine-3-carboxamide
L090-0446 Screening compound: 1-(4-chlorophenyl)-6-methyl-7-oxo-N-[3-(trifluoromethyl)phenyl]-1H,6H,7H-pyrazolo[4,3-d]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L090-0446
1-(4-chlorophenyl)-6-methyl-7-oxo-N-[3-(trifluoromethyl)phenyl]-1H,6H,7H-pyrazolo[4,3-d]pyrimidine-3-carboxamide

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

L090-0446

Molecular Formula

C20H13ClF3N5O2 (C20 H13 ClF3 N5 O2)

Compound Name

1-(4-chlorophenyl)-6-methyl-7-oxo-N-[3-(trifluoromethyl)phenyl]-1H,6H,7H-pyrazolo[4,3-d]pyrimidine-3-carboxamide

IUPAC name

1-(4-chlorophenyl)-6-methyl-7-oxo-N-[3-(trifluoromethyl)phenyl]-1H6H7H-pyrazolo[43-d]pyrimidine-3-carboxamide

SMILES

CN(C=Nc1c2n(-c(cc3)ccc3Cl)nc1C(Nc1cc(C(F)(F)F)ccc1)=O)C2=O

InChI

InChI=1S/C20H13ClF3N5O2/c1-28-10-25-15-16(18(30)26-13-4-2-3-11(9-13)20(22,23)24)27-29(17(15)19(28)31)14-7-5-12(21)6-8-14/h2-10H,1H3,(H,26,30)

InChI Key

ZPGIRRGVRGZRCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27231749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.593

Distribution Coefficient, logD

3.335

Water Solubility, LogSw

-4.19

Polar Surface Area

61.417

Acid Dissociation Constant (pKa)

7.49

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

L090-0446 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L090-0446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L090-0446?
Check Price and Availability of L090-0446, 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 L090-0446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L090-0446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L090-0446
  • 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 L090-0446 available by request