G721-0062 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-(4-acetamidophenyl)acetamide

G721-0062 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-(4-acetamidophenyl)acetamide
G721-0062 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-(4-acetamidophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G721-0062
2-{[1,3-dimethyl-2,4-dioxo-6-(propan-2-yl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl]sulfanyl}-N-(4-acetamidophenyl)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

G721-0062

Molecular Formula

C22H25N5O4S (C22 H25 N5 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}-N-(4-acetamidophenyl)acetamide

IUPAC name

2-{[13-dimethyl-24-dioxo-6-(propan-2-yl)-1H2H3H4H-pyrido[23-d]pyrimidin-5-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide

SMILES

CC(C)c(c(SCC(Nc(cc1)ccc1NC(C)=O)=O)c1C(N2C)=O)cnc1N(C)C2=O

InChI

InChI=1S/C22H25N5O4S/c1-12(2)16-10-23-20-18(21(30)27(5)22(31)26(20)4)19(16)32-11-17(29)25-15-8-6-14(7-9-15)24-13(3)28/h6-10,12H,11H2,1-5H3,(H,24,28)(H,25,29)

InChI Key

WCMXQWPCNQWUOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08326240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.563

Distribution Coefficient, logD

2.563

Water Solubility, LogSw

-2.75

Polar Surface Area

87.902

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

G721-0062 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G721-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G721-0062?
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What is the minimum amount of G721-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G721-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G721-0062
  • 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 G721-0062 available by request