G721-0502 Screening compound: ethyl 2-(2-{[6-(methoxymethyl)-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate

G721-0502 Screening compound: ethyl 2-(2-{[6-(methoxymethyl)-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
G721-0502 Screening compound: ethyl 2-(2-{[6-(methoxymethyl)-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G721-0502
ethyl 2-(2-{[6-(methoxymethyl)-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate

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

G721-0502

Molecular Formula

C22H24N4O6S (C22 H24 N4 O6 S)

Compound Name

ethyl 2-(2-{[6-(methoxymethyl)-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate

IUPAC name

ethyl 2-(2-{[6-(methoxymethyl)-13-dimethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate

SMILES

CCOC(c(cccc1)c1NC(CSc(c(COC)cnc1N(C)C(N2C)=O)c1C2=O)=O)=O

InChI

InChI=1S/C22H24N4O6S/c1-5-32-21(29)14-8-6-7-9-15(14)24-16(27)12-33-18-13(11-31-4)10-23-19-17(18)20(28)26(3)22(30)25(19)2/h6-10H,5,11-12H2,1-4H3,(H,24,27)

InChI Key

XFBBOGJJFWYTOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08326854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.383

Distribution Coefficient, logD

2.368

Water Solubility, LogSw

-2.81

Polar Surface Area

93.119

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

G721-0502 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G721-0502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G721-0502?
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What is the minimum amount of G721-0502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G721-0502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G721-0502
  • 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 G721-0502 available by request