G721-0280 Screening compound: 6-butyl-5-{[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

G721-0280 Screening compound: 6-butyl-5-{[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
G721-0280 Screening compound: 6-butyl-5-{[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G721-0280
6-butyl-5-{[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-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

G721-0280

Molecular Formula

C21H30N4O4S (C21 H30 N4 O4 S)

Compound Name

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

IUPAC name

6-butyl-5-{[2-(26-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl}-13-dimethyl-1H2H3H4H-pyrido[23-d]pyrimidine-24-dione

SMILES

CCCCc(c(SCC(N1CC(C)OC(C)C1)=O)c1C(N2C)=O)cnc1N(C)C2=O

InChI

InChI=1S/C21H30N4O4S/c1-6-7-8-15-9-22-19-17(20(27)24(5)21(28)23(19)4)18(15)30-12-16(26)25-10-13(2)29-14(3)11-25/h9,13-14H,6-8,10-12H2,1-5H3

InChI Key

KBBUCIWQIBVYSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08326460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.626

Distribution Coefficient, logD

2.626

Water Solubility, LogSw

-2.52

Polar Surface Area

64.815

Acid Dissociation Constant (pKa)

23.64

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.90

G721-0280 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G721-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of G721-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G721-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G721-0280
  • 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 G721-0280 available by request