L681-0088 Screening compound: 2-{6-benzyl-2-ethyl-5,7-dioxo-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-cyclopentylacetamide

L681-0088 Screening compound: 2-{6-benzyl-2-ethyl-5,7-dioxo-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-cyclopentylacetamide
L681-0088 Screening compound: 2-{6-benzyl-2-ethyl-5,7-dioxo-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-cyclopentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L681-0088
2-{6-benzyl-2-ethyl-5,7-dioxo-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-cyclopentylacetamide

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

L681-0088

Molecular Formula

C21H25N5O3 (C21 H25 N5 O3)

Compound Name

2-{6-benzyl-2-ethyl-5,7-dioxo-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-cyclopentylacetamide

IUPAC name

2-{6-benzyl-2-ethyl-57-dioxo-2H4H5H6H7H-pyrazolo[43-d]pyrimidin-4-yl}-N-cyclopentylacetamide

SMILES

CCn(cc1N(CC(NC2CCCC2)=O)C(N2Cc3ccccc3)=O)nc1C2=O

InChI

InChI=1S/C21H25N5O3/c1-2-24-13-17-19(23-24)20(28)26(12-15-8-4-3-5-9-15)21(29)25(17)14-18(27)22-16-10-6-7-11-16/h3-5,8-9,13,16H,2,6-7,10-12,14H2,1H3,(H,22,27)

InChI Key

IXFIHQVCUFMXGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27469388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.46

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

2.130

Distribution Coefficient, logD

2.130

Water Solubility, LogSw

-2.44

Polar Surface Area

70.969

Acid Dissociation Constant (pKa)

16.41

Base Dissociation Constant (pKb)

6.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

L681-0088 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 L681-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L681-0088?
Check Price and Availability of L681-0088, 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 L681-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L681-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L681-0088
  • 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 L681-0088 available by request