G721-0250 Screening compound: 6-butyl-1,3-dimethyl-5-{[(pyridin-3-yl)methyl]sulfanyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

G721-0250 Screening compound: 6-butyl-1,3-dimethyl-5-{[(pyridin-3-yl)methyl]sulfanyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
G721-0250 Screening compound: 6-butyl-1,3-dimethyl-5-{[(pyridin-3-yl)methyl]sulfanyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G721-0250
6-butyl-1,3-dimethyl-5-{[(pyridin-3-yl)methyl]sulfanyl}-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

G721-0250

Molecular Formula

C19H22N4O2S (C19 H22 N4 O2 S)

Compound Name

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

IUPAC name

6-butyl-13-dimethyl-5-{[(pyridin-3-yl)methyl]sulfanyl}-1H2H3H4H-pyrido[23-d]pyrimidine-24-dione

SMILES

CCCCc(c(SCc1cnccc1)c1C(N2C)=O)cnc1N(C)C2=O

InChI

InChI=1S/C19H22N4O2S/c1-4-5-8-14-11-21-17-15(18(24)23(3)19(25)22(17)2)16(14)26-12-13-7-6-9-20-10-13/h6-7,9-11H,4-5,8,12H2,1-3H3

InChI Key

DNTKRGYSLYPYLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08326430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.296

Distribution Coefficient, logD

3.251

Water Solubility, LogSw

-3.24

Polar Surface Area

51.008

Acid Dissociation Constant (pKa)

23.64

Base Dissociation Constant (pKb)

6.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

G721-0250 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 G721-0250 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of G721-0250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G721-0250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G721-0250
  • 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 G721-0250 available by request