Y041-8218 Screening compound: 3-{5,7-DIMETHYL-2-OXO-1H,2H-PYRAZOLO[1,5-A]PYRIMIDIN-6-YL}-N-[2-(6-FLUORO-1H-INDOL-1-YL)ETHYL]PROPANAMIDE

Y041-8218 Screening compound: 3-{5,7-DIMETHYL-2-OXO-1H,2H-PYRAZOLO[1,5-A]PYRIMIDIN-6-YL}-N-[2-(6-FLUORO-1H-INDOL-1-YL)ETHYL]PROPANAMIDE
Y041-8218 Screening compound: 3-{5,7-DIMETHYL-2-OXO-1H,2H-PYRAZOLO[1,5-A]PYRIMIDIN-6-YL}-N-[2-(6-FLUORO-1H-INDOL-1-YL)ETHYL]PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-8218
3-{5,7-DIMETHYL-2-OXO-1H,2H-PYRAZOLO[1,5-A]PYRIMIDIN-6-YL}-N-[2-(6-FLUORO-1H-INDOL-1-YL)ETHYL]PROPANAMIDE

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

Y041-8218

Molecular Formula

C21H22FN5O2 (C21 H22 FN5 O2)

Compound Name

3-{5,7-DIMETHYL-2-OXO-1H,2H-PYRAZOLO[1,5-A]PYRIMIDIN-6-YL}-N-[2-(6-FLUORO-1H-INDOL-1-YL)ETHYL]PROPANAMIDE

IUPAC name

3-{57-dimethyl-2-oxo-1H2H-pyrazolo[15-a]pyrimidin-6-yl}-N-[2-(6-fluoro-1H-indol-1-yl)ethyl]propanamide

SMILES

CC(C(CCC(NCCn(cc1)c2c1ccc(F)c2)=O)=C(C)N1N2)=NC1=CC2=O

InChI

InChI=1S/C21H22FN5O2/c1-13-17(14(2)27-19(24-13)12-21(29)25-27)5-6-20(28)23-8-10-26-9-7-15-3-4-16(22)11-18(15)26/h3-4,7,9,11-12H,5-6,8,10H2,1-2H3,(H,23,28)(H,25,29)

InChI Key

DDAUXZMMZZWWFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28367940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.796

Distribution Coefficient, logD

1.796

Water Solubility, LogSw

-2.33

Polar Surface Area

63.370

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

Y041-8218 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y041-8218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-8218?
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What is the minimum amount of Y041-8218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-8218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-8218
  • 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 Y041-8218 available by request