Y041-0671 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethyl-6-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

Y041-0671 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethyl-6-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
Y041-0671 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethyl-6-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-0671
N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethyl-6-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

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

Y041-0671

Molecular Formula

C22H25N5O (C22 H25 N5 O)

Compound Name

N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethyl-6-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

IUPAC name

N-[2-(1H-indol-3-yl)ethyl]-13-dimethyl-6-(propan-2-yl)-1H-pyrazolo[34-b]pyridine-4-carboxamide

SMILES

CC(C)c1cc(C(NCCc2c[nH]c3c2cccc3)=O)c(c(C)nn2C)c2n1

InChI

InChI=1S/C22H25N5O/c1-13(2)19-11-17(20-14(3)26-27(4)21(20)25-19)22(28)23-10-9-15-12-24-18-8-6-5-7-16(15)18/h5-8,11-13,24H,9-10H2,1-4H3,(H,23,28)

InChI Key

LSBBEVMHPWAXAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19707663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.476

Distribution Coefficient, logD

3.476

Water Solubility, LogSw

-4.09

Polar Surface Area

58.181

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

Y041-0671 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

CORONAVIRUS Library (20774 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with Y041-0671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-0671?
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What is the minimum amount of Y041-0671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-0671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-0671
  • 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 Y041-0671 available by request