G020-0441 Screening compound: N-[(4-chlorophenyl)methyl]-2-{[6-(cyclopropylmethyl)-2-methyl-7-oxo-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide

G020-0441 Screening compound: N-[(4-chlorophenyl)methyl]-2-{[6-(cyclopropylmethyl)-2-methyl-7-oxo-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide
G020-0441 Screening compound: N-[(4-chlorophenyl)methyl]-2-{[6-(cyclopropylmethyl)-2-methyl-7-oxo-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G020-0441
N-[(4-chlorophenyl)methyl]-2-{[6-(cyclopropylmethyl)-2-methyl-7-oxo-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}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

G020-0441

Molecular Formula

C19H20ClN5O2S (C19 H20 ClN5 O2 S)

Compound Name

N-[(4-chlorophenyl)methyl]-2-{[6-(cyclopropylmethyl)-2-methyl-7-oxo-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide

IUPAC name

N-[(4-chlorophenyl)methyl]-2-{[6-(cyclopropylmethyl)-2-methyl-7-oxo-2H6H7H-pyrazolo[43-d]pyrimidin-5-yl]sulfanyl}acetamide

SMILES

Cn(cc1N=C(N2CC3CC3)SCC(NCc(cc3)ccc3Cl)=O)nc1C2=O

InChI

InChI=1S/C19H20ClN5O2S/c1-24-10-15-17(23-24)18(27)25(9-13-2-3-13)19(22-15)28-11-16(26)21-8-12-4-6-14(20)7-5-12/h4-7,10,13H,2-3,8-9,11H2,1H3,(H,21,26)

InChI Key

JOODVWUAUZKGGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27209055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.277

Distribution Coefficient, logD

2.276

Water Solubility, LogSw

-3.27

Polar Surface Area

66.212

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

G020-0441 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G020-0441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G020-0441?
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What is the minimum amount of G020-0441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G020-0441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G020-0441
  • 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 G020-0441 available by request