G749-0130 Screening compound: methyl 7-cyclopropyl-1-ethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo-1H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

G749-0130 Screening compound: methyl 7-cyclopropyl-1-ethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo-1H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
G749-0130 Screening compound: methyl 7-cyclopropyl-1-ethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo-1H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G749-0130
methyl 7-cyclopropyl-1-ethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo-1H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

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

G749-0130

Molecular Formula

C22H23N3O3S (C22 H23 N3 O3 S)

Compound Name

methyl 7-cyclopropyl-1-ethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo-1H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

IUPAC name

methyl 7-cyclopropyl-1-ethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo-1H4H-pyrido[23-d]pyrimidine-5-carboxylate

SMILES

CCN(c1c2c(C(OC)=O)cc(C3CC3)n1)C(SCc1c(C)cccc1)=NC2=O

InChI

InChI=1S/C22H23N3O3S/c1-4-25-19-18(16(21(27)28-3)11-17(23-19)14-9-10-14)20(26)24-22(25)29-12-15-8-6-5-7-13(15)2/h5-8,11,14H,4,9-10,12H2,1-3H3

InChI Key

WNQCIDIHVOBFNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15031251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.290

Distribution Coefficient, logD

5.290

Water Solubility, LogSw

-5.38

Polar Surface Area

56.829

Acid Dissociation Constant (pKa)

23.57

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

G749-0130 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G749-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G749-0130?
Check Price and Availability of G749-0130, 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 G749-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G749-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G749-0130
  • 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 G749-0130 available by request