G721-0116 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}acetic acid

G721-0116 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}acetic acid
G721-0116 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}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G721-0116
2-{[1,3-dimethyl-2,4-dioxo-6-(propan-2-yl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl]sulfanyl}acetic acid

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

G721-0116

Molecular Formula

C14H17N3O4S (C14 H17 N3 O4 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}acetic acid

IUPAC name

2-{[13-dimethyl-24-dioxo-6-(propan-2-yl)-1H2H3H4H-pyrido[23-d]pyrimidin-5-yl]sulfanyl}acetic acid

SMILES

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

InChI

InChI=1S/C14H17N3O4S/c1-7(2)8-5-15-12-10(11(8)22-6-9(18)19)13(20)17(4)14(21)16(12)3/h5,7H,6H2,1-4H3,(H,18,19)

InChI Key

RYAYCQDCAOGJGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08326291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.452

Distribution Coefficient, logD

-2.035

Water Solubility, LogSw

-1.67

Polar Surface Area

70.146

Acid Dissociation Constant (pKa)

3.91

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

G721-0116 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G721-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G721-0116?
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What is the minimum amount of G721-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G721-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G721-0116
  • 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 G721-0116 available by request