G581-0144 Screening compound: 2-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

Chemical Structure Depiction of ChemDiv screening compound G581-0144
2-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-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)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G581-0144

Molecular Formula

C₂₇H₂₇N₅O₂ (C27 H27 N5 O2)

Compound Name

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

IUPAC name

2-[2-(1-methyl-1H-indol-3-yl)-5-oxo-4H5H6H7H-pyrazolo[15-a]pyrimidin-4-yl]-N-(1234-tetrahydronaphthalen-1-yl)acetamide

SMILES

Cn1c(cccc2)c2c(-c2nn(CCC(N3CC(NC(CCC4)c5c4cccc5)=O)=O)c3c2)c1

InChI

InChI=1S/C27H27N5O2/c1-30-16-21(20-10-4-5-12-24(20)30)23-15-26-31(27(34)13-14-32(26)29-23)17-25(33)28-22-11-6-8-18-7-2-3-9-19(18)22/h2-5,7,9-10,12,15-16,22H,6,8,11,13-14,17H2,1H3,(H,28,33)/t22-/m0/s1

InChI Key

ZOOHVVJRNSFXAF-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD15020538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

3.831

Distribution Coefficient, logD

3.831

Water Solubility, LogSw

-3.75

Polar Surface Area

54.896

Acid Dissociation Constant (pK_a)

12.06

Base Dissociation Constant (pK_b)

1.37

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

29.60

G581-0144 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

PI3K-Targeted Library (17255 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Antiviral
Infections
Immune system
Nervous system
Cancer
Digestive system
Respiratory tract
Otorhinolaryngologic
Male
Female
Hemic and lymphatic
Skin
Cancer
Musculoskeletal
Digestive system
Respiratory tract
Male
Female
Hemic and lymphatic
Metabolic

Targets:

Kinases
Others

Mechanism of action:

PPI modulators
Epigenetic

Structure:

Mimetics

References: we are preparing a list of scientific research reports with G581-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G581-0144?
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What is the minimum amount of G581-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for G581-0144
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for G581-0144

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 G581-0144 available by request