L681-0097 Screening compound: 2-{6-benzyl-2-ethyl-5,7-dioxo-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-(2-methylphenyl)acetamide

L681-0097 Screening compound: 2-{6-benzyl-2-ethyl-5,7-dioxo-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-(2-methylphenyl)acetamide
L681-0097 Screening compound: 2-{6-benzyl-2-ethyl-5,7-dioxo-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-(2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L681-0097
2-{6-benzyl-2-ethyl-5,7-dioxo-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-(2-methylphenyl)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

L681-0097

Molecular Formula

C23H23N5O3 (C23 H23 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-(2-methylphenyl)acetamide

IUPAC name

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

SMILES

CCn(cc1N(CC(Nc2c(C)cccc2)=O)C(N2Cc3ccccc3)=O)nc1C2=O

InChI

InChI=1S/C23H23N5O3/c1-3-26-14-19-21(25-26)22(30)28(13-17-10-5-4-6-11-17)23(31)27(19)15-20(29)24-18-12-8-7-9-16(18)2/h4-12,14H,3,13,15H2,1-2H3,(H,24,29)

InChI Key

OGFZBRBWLUXRFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27469394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.47

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

2.581

Distribution Coefficient, logD

2.581

Water Solubility, LogSw

-2.72

Polar Surface Area

68.858

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with L681-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L681-0097?
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What is the minimum amount of L681-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L681-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L681-0097
  • 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 L681-0097 available by request