G721-0226 Screening compound: 2-({6-butyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide

G721-0226 Screening compound: 2-({6-butyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
G721-0226 Screening compound: 2-({6-butyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G721-0226
2-({6-butyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]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

G721-0226

Molecular Formula

C19H24N6O3S3 (C19 H24 N6 O3 S3)

Compound Name

2-({6-butyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide

IUPAC name

2-({6-butyl-13-dimethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-5-yl}sulfanyl)-N-[5-(ethylsulfanyl)-134-thiadiazol-2-yl]acetamide

SMILES

CCCCc(c(SCC(Nc1nnc(SCC)s1)=O)c1C(N2C)=O)cnc1N(C)C2=O

InChI

InChI=1S/C19H24N6O3S3/c1-5-7-8-11-9-20-15-13(16(27)25(4)19(28)24(15)3)14(11)30-10-12(26)21-17-22-23-18(31-17)29-6-2/h9H,5-8,10H2,1-4H3,(H,21,22,26)

InChI Key

QVCRACPIMOVMNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08326407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.64

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.326

Distribution Coefficient, logD

4.324

Water Solubility, LogSw

-4.19

Polar Surface Area

87.546

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

G721-0226 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G721-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G721-0226?
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What is the minimum amount of G721-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G721-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G721-0226
  • 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 G721-0226 available by request