L681-0236 Screening compound: N-benzyl-2-{6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxo-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide

L681-0236 Screening compound: N-benzyl-2-{6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxo-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide
L681-0236 Screening compound: N-benzyl-2-{6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxo-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L681-0236
N-benzyl-2-{6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxo-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide

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

L681-0236

Molecular Formula

C22H20FN5O3 (C22 H20 FN5 O3)

Compound Name

N-benzyl-2-{6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxo-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide

IUPAC name

N-benzyl-2-{6-[(4-fluorophenyl)methyl]-2-methyl-57-dioxo-2H4H5H6H7H-pyrazolo[43-d]pyrimidin-4-yl}acetamide

SMILES

Cn(cc1N(CC(NCc2ccccc2)=O)C(N2Cc(cc3)ccc3F)=O)nc1C2=O

InChI

InChI=1S/C22H20FN5O3/c1-26-13-18-20(25-26)21(30)28(12-16-7-9-17(23)10-8-16)22(31)27(18)14-19(29)24-11-15-5-3-2-4-6-15/h2-10,13H,11-12,14H2,1H3,(H,24,29)

InChI Key

QQBKWYRLJJJBRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27469448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.986

Distribution Coefficient, logD

1.986

Water Solubility, LogSw

-2.22

Polar Surface Area

71.185

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

-1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

L681-0236 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 L681-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L681-0236?
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What is the minimum amount of L681-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L681-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L681-0236
  • 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 L681-0236 available by request