G581-0104 Screening compound: N-(3-chloro-4-methylphenyl)-2-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]acetamide

G581-0104 Screening compound: N-(3-chloro-4-methylphenyl)-2-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]acetamide
G581-0104 Screening compound: N-(3-chloro-4-methylphenyl)-2-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G581-0104
N-(3-chloro-4-methylphenyl)-2-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]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

G581-0104

Molecular Formula

C24H22ClN5O2 (C24 H22 ClN5 O2)

Compound Name

N-(3-chloro-4-methylphenyl)-2-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]acetamide

IUPAC name

N-(3-chloro-4-methylphenyl)-2-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H5H6H7H-pyrazolo[15-a]pyrimidin-4-yl]acetamide

SMILES

Cc(ccc(NC(CN(c1cc(-c2cn(C)c3c2cccc3)nn1CC1)C1=O)=O)c1)c1Cl

InChI

InChI=1S/C24H22ClN5O2/c1-15-7-8-16(11-19(15)25)26-22(31)14-29-23-12-20(27-30(23)10-9-24(29)32)18-13-28(2)21-6-4-3-5-17(18)21/h3-8,11-13H,9-10,14H2,1-2H3,(H,26,31)

InChI Key

ATXNSMJJDZLXAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15020521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.689

Distribution Coefficient, logD

4.689

Water Solubility, LogSw

-4.74

Polar Surface Area

53.730

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

G581-0104 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G581-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G581-0104?
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What is the minimum amount of G581-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G581-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G581-0104
  • 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 G581-0104 available by request