G721-0069 Screening compound: 2-{[1,3-dimethyl-2,4-dioxo-6-(propan-2-yl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide

G721-0069 Screening compound: 2-{[1,3-dimethyl-2,4-dioxo-6-(propan-2-yl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
G721-0069 Screening compound: 2-{[1,3-dimethyl-2,4-dioxo-6-(propan-2-yl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G721-0069
2-{[1,3-dimethyl-2,4-dioxo-6-(propan-2-yl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl]sulfanyl}-N-[(furan-2-yl)methyl]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

G721-0069

Molecular Formula

C19H22N4O4S (C19 H22 N4 O4 S)

Compound Name

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

IUPAC name

2-{[13-dimethyl-24-dioxo-6-(propan-2-yl)-1H2H3H4H-pyrido[23-d]pyrimidin-5-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide

SMILES

CC(C)c(c(SCC(NCc1ccco1)=O)c1C(N2C)=O)cnc1N(C)C2=O

InChI

InChI=1S/C19H22N4O4S/c1-11(2)13-9-21-17-15(18(25)23(4)19(26)22(17)3)16(13)28-10-14(24)20-8-12-6-5-7-27-12/h5-7,9,11H,8,10H2,1-4H3,(H,20,24)

InChI Key

QCVCKXHCQXBMJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09247945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.794

Distribution Coefficient, logD

2.793

Water Solubility, LogSw

-3.11

Polar Surface Area

73.710

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

G721-0069 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 G721-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G721-0069?
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What is the minimum amount of G721-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G721-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G721-0069
  • 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 G721-0069 available by request