G721-0051 Screening compound: 2-{[1,3-dimethyl-2,4-dioxo-6-(propan-2-yl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide

G721-0051 Screening compound: 2-{[1,3-dimethyl-2,4-dioxo-6-(propan-2-yl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
G721-0051 Screening compound: 2-{[1,3-dimethyl-2,4-dioxo-6-(propan-2-yl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G721-0051
2-{[1,3-dimethyl-2,4-dioxo-6-(propan-2-yl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]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

G721-0051

Molecular Formula

C21H21F3N4O3S (C21 H21 F3 N4 O3 S)

Compound Name

2-{[1,3-dimethyl-2,4-dioxo-6-(propan-2-yl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-{[13-dimethyl-24-dioxo-6-(propan-2-yl)-1H2H3H4H-pyrido[23-d]pyrimidin-5-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide

SMILES

CC(C)c(c(SCC(Nc1c(C(F)(F)F)cccc1)=O)c1C(N2C)=O)cnc1N(C)C2=O

InChI

InChI=1S/C21H21F3N4O3S/c1-11(2)12-9-25-18-16(19(30)28(4)20(31)27(18)3)17(12)32-10-15(29)26-14-8-6-5-7-13(14)21(22,23)24/h5-9,11H,10H2,1-4H3,(H,26,29)

InChI Key

LWYAQTMHKRSQQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08326231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.878

Distribution Coefficient, logD

3.877

Water Solubility, LogSw

-4.11

Polar Surface Area

63.942

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G721-0051 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G721-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G721-0051?
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What is the minimum amount of G721-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G721-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G721-0051
  • 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 G721-0051 available by request