G873-0149 Screening compound: 2-{[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-methylacetamide

G873-0149 Screening compound: 2-{[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-methylacetamide
G873-0149 Screening compound: 2-{[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G873-0149
2-{[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-methylacetamide

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

G873-0149

Molecular Formula

C14H12ClN5O2S (C14 H12 ClN5 O2 S)

Compound Name

2-{[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-methylacetamide

IUPAC name

2-{[1-(4-chlorophenyl)-4-oxo-1H4H5H-pyrazolo[34-d]pyrimidin-6-yl]sulfanyl}-N-methylacetamide

SMILES

CNC(CSC(N1)=Nc(n(-c(cc2)ccc2Cl)nc2)c2C1=O)=O

InChI

InChI=1S/C14H12ClN5O2S/c1-16-11(21)7-23-14-18-12-10(13(22)19-14)6-17-20(12)9-4-2-8(15)3-5-9/h2-6H,7H2,1H3,(H,16,21)(H,18,19,22)

InChI Key

VLPYGMSDAYAUNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08322788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.8

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.605

Distribution Coefficient, logD

1.542

Water Solubility, LogSw

-2.94

Polar Surface Area

73.345

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G873-0149 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G873-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G873-0149?
Check Price and Availability of G873-0149, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G873-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G873-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G873-0149
  • 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 G873-0149 available by request