L681-0176 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-(2-ethylphenyl)acetamide

L681-0176 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-(2-ethylphenyl)acetamide
L681-0176 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-(2-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L681-0176
2-{2-ethyl-6-[(4-methylphenyl)methyl]-5,7-dioxo-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-(2-ethylphenyl)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

L681-0176

Molecular Formula

C25H27N5O3 (C25 H27 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-(2-ethylphenyl)acetamide

IUPAC name

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

SMILES

CCc(cccc1)c1NC(CN(c1cn(CC)nc1C(N1Cc2ccc(C)cc2)=O)C1=O)=O

InChI

InChI=1S/C25H27N5O3/c1-4-19-8-6-7-9-20(19)26-22(31)16-29-21-15-28(5-2)27-23(21)24(32)30(25(29)33)14-18-12-10-17(3)11-13-18/h6-13,15H,4-5,14,16H2,1-3H3,(H,26,31)

InChI Key

SRRNCOJARSUYFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27469433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.709

Distribution Coefficient, logD

3.709

Water Solubility, LogSw

-3.66

Polar Surface Area

68.858

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with L681-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L681-0176?
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What is the minimum amount of L681-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L681-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L681-0176
  • 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 L681-0176 available by request