L681-0166 Screening compound: 2-{2-ethyl-6-[(4-methylphenyl)methyl]-5,7-dioxo-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-(4-methylphenyl)acetamide

L681-0166 Screening compound: 2-{2-ethyl-6-[(4-methylphenyl)methyl]-5,7-dioxo-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-(4-methylphenyl)acetamide
L681-0166 Screening compound: 2-{2-ethyl-6-[(4-methylphenyl)methyl]-5,7-dioxo-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L681-0166
2-{2-ethyl-6-[(4-methylphenyl)methyl]-5,7-dioxo-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-(4-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

L681-0166

Molecular Formula

C24H25N5O3 (C24 H25 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCn(cc1N(CC(Nc2ccc(C)cc2)=O)C(N2Cc3ccc(C)cc3)=O)nc1C2=O

InChI

InChI=1S/C24H25N5O3/c1-4-27-14-20-22(26-27)23(31)29(13-18-9-5-16(2)6-10-18)24(32)28(20)15-21(30)25-19-11-7-17(3)8-12-19/h5-12,14H,4,13,15H2,1-3H3,(H,25,30)

InChI Key

QRFRINQVVMMYFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27469429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.49

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

3.633

Distribution Coefficient, logD

3.633

Water Solubility, LogSw

-3.55

Polar Surface Area

69.555

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with L681-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L681-0166?
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What is the minimum amount of L681-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L681-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L681-0166
  • 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 L681-0166 available by request