G721-0390 Screening compound: 5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1,3-dimethyl-6-(2-methylpropyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

G721-0390 Screening compound: 5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1,3-dimethyl-6-(2-methylpropyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
G721-0390 Screening compound: 5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1,3-dimethyl-6-(2-methylpropyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G721-0390
5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1,3-dimethyl-6-(2-methylpropyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

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

G721-0390

Molecular Formula

C22H27N3O2S (C22 H27 N3 O2 S)

Compound Name

5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1,3-dimethyl-6-(2-methylpropyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

IUPAC name

5-{[(25-dimethylphenyl)methyl]sulfanyl}-13-dimethyl-6-(2-methylpropyl)-1H2H3H4H-pyrido[23-d]pyrimidine-24-dione

SMILES

CC(C)Cc(c(SCc1c(C)ccc(C)c1)c1C(N2C)=O)cnc1N(C)C2=O

InChI

InChI=1S/C22H27N3O2S/c1-13(2)9-16-11-23-20-18(21(26)25(6)22(27)24(20)5)19(16)28-12-17-10-14(3)7-8-15(17)4/h7-8,10-11,13H,9,12H2,1-6H3

InChI Key

GAFBWWNPNBMVCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08326578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.658

Distribution Coefficient, logD

5.658

Water Solubility, LogSw

-5.25

Polar Surface Area

41.490

Acid Dissociation Constant (pKa)

24.29

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

G721-0390 in Drug Discovery

Included in Screening Libraries

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G721-0390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G721-0390?
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What is the minimum amount of G721-0390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G721-0390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G721-0390
  • 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 G721-0390 available by request