G020-0185 Screening compound: 2-ethyl-5-{[(4-fluorophenyl)methyl]sulfanyl}-6-(2-phenylethyl)-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one

G020-0185 Screening compound: 2-ethyl-5-{[(4-fluorophenyl)methyl]sulfanyl}-6-(2-phenylethyl)-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
G020-0185 Screening compound: 2-ethyl-5-{[(4-fluorophenyl)methyl]sulfanyl}-6-(2-phenylethyl)-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G020-0185
2-ethyl-5-{[(4-fluorophenyl)methyl]sulfanyl}-6-(2-phenylethyl)-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one

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

G020-0185

Molecular Formula

C22H21FN4OS (C22 H21 FN4 OS)

Compound Name

2-ethyl-5-{[(4-fluorophenyl)methyl]sulfanyl}-6-(2-phenylethyl)-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one

IUPAC name

2-ethyl-5-{[(4-fluorophenyl)methyl]sulfanyl}-6-(2-phenylethyl)-2H6H7H-pyrazolo[43-d]pyrimidin-7-one

SMILES

CCn(cc1N=C(N2CCc3ccccc3)SCc(cc3)ccc3F)nc1C2=O

InChI

InChI=1S/C22H21FN4OS/c1-2-26-14-19-20(25-26)21(28)27(13-12-16-6-4-3-5-7-16)22(24-19)29-15-17-8-10-18(23)11-9-17/h3-11,14H,2,12-13,15H2,1H3

InChI Key

TYMGVPVTRZWPJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14977661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.607

Distribution Coefficient, logD

3.607

Water Solubility, LogSw

-3.61

Polar Surface Area

40.889

Acid Dissociation Constant (pKa)

26.36

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

G020-0185 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G020-0185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G020-0185?
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What is the minimum amount of G020-0185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G020-0185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G020-0185
  • 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 G020-0185 available by request