G721-0097 Screening compound: 1,3-dimethyl-6-(propan-2-yl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

G721-0097 Screening compound: 1,3-dimethyl-6-(propan-2-yl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
G721-0097 Screening compound: 1,3-dimethyl-6-(propan-2-yl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G721-0097
1,3-dimethyl-6-(propan-2-yl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

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

G721-0097

Molecular Formula

C20H20F3N3O2S (C20 H20 F3 N3 O2 S)

Compound Name

1,3-dimethyl-6-(propan-2-yl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

IUPAC name

13-dimethyl-6-(propan-2-yl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H2H3H4H-pyrido[23-d]pyrimidine-24-dione

SMILES

CC(C)c(c(SCc1cc(C(F)(F)F)ccc1)c1C(N2C)=O)cnc1N(C)C2=O

InChI

InChI=1S/C20H20F3N3O2S/c1-11(2)14-9-24-17-15(18(27)26(4)19(28)25(17)3)16(14)29-10-12-6-5-7-13(8-12)20(21,22)23/h5-9,11H,10H2,1-4H3

InChI Key

LNSJRCDLGQGEAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08326272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.721

Distribution Coefficient, logD

4.719

Water Solubility, LogSw

-4.58

Polar Surface Area

41.490

Acid Dissociation Constant (pKa)

21.22

Base Dissociation Constant (pKb)

5.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

G721-0097 in Drug Discovery

Included in Screening Libraries

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

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G721-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G721-0097?
Check Price and Availability of G721-0097, 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 G721-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G721-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G721-0097
  • 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 G721-0097 available by request