G721-0229 Screening compound: 4-[2-({6-butyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzamide

G721-0229 Screening compound: 4-[2-({6-butyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzamide
G721-0229 Screening compound: 4-[2-({6-butyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G721-0229
4-[2-({6-butyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzamide

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

G721-0229

Molecular Formula

C22H25N5O4S (C22 H25 N5 O4 S)

Compound Name

4-[2-({6-butyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzamide

IUPAC name

4-[2-({6-butyl-13-dimethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-5-yl}sulfanyl)acetamido]benzamide

SMILES

CCCCc(c(SCC(Nc(cc1)ccc1C(N)=O)=O)c1C(N2C)=O)cnc1N(C)C2=O

InChI

InChI=1S/C22H25N5O4S/c1-4-5-6-14-11-24-20-17(21(30)27(3)22(31)26(20)2)18(14)32-12-16(28)25-15-9-7-13(8-10-15)19(23)29/h7-11H,4-6,12H2,1-3H3,(H2,23,29)(H,25,28)

InChI Key

AMUSZFPPTLCBHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08326410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.629

Distribution Coefficient, logD

2.629

Water Solubility, LogSw

-3.09

Polar Surface Area

98.698

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

G721-0229 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 G721-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G721-0229?
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What is the minimum amount of G721-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G721-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G721-0229
  • 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 G721-0229 available by request