G721-0213 Screening compound: 2-({6-butyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)-N-cyclohexylacetamide

G721-0213 Screening compound: 2-({6-butyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)-N-cyclohexylacetamide
G721-0213 Screening compound: 2-({6-butyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)-N-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G721-0213
2-({6-butyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)-N-cyclohexylacetamide

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

G721-0213

Molecular Formula

C21H30N4O3S (C21 H30 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCc(c(SCC(NC1CCCCC1)=O)c1C(N2C)=O)cnc1N(C)C2=O

InChI

InChI=1S/C21H30N4O3S/c1-4-5-9-14-12-22-19-17(20(27)25(3)21(28)24(19)2)18(14)29-13-16(26)23-15-10-7-6-8-11-15/h12,15H,4-11,13H2,1-3H3,(H,23,26)

InChI Key

UNYRCADINKGTTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08326393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.879

Distribution Coefficient, logD

3.879

Water Solubility, LogSw

-3.86

Polar Surface Area

65.687

Acid Dissociation Constant (pKa)

15.72

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

G721-0213 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 G721-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G721-0213?
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What is the minimum amount of G721-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G721-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G721-0213
  • 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 G721-0213 available by request