G721-0057 Screening compound: ethyl 2-(2-{[1,3-dimethyl-2,4-dioxo-6-(propan-2-yl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate

G721-0057 Screening compound: ethyl 2-(2-{[1,3-dimethyl-2,4-dioxo-6-(propan-2-yl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
G721-0057 Screening compound: ethyl 2-(2-{[1,3-dimethyl-2,4-dioxo-6-(propan-2-yl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G721-0057
ethyl 2-(2-{[1,3-dimethyl-2,4-dioxo-6-(propan-2-yl)-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

G721-0057

Molecular Formula

C23H26N4O5S (C23 H26 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H26N4O5S/c1-6-32-22(30)14-9-7-8-10-16(14)25-17(28)12-33-19-15(13(2)3)11-24-20-18(19)21(29)27(5)23(31)26(20)4/h7-11,13H,6,12H2,1-5H3,(H,25,28)

InChI Key

VPOTWRCEGKWUGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08326236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.630

Distribution Coefficient, logD

3.614

Water Solubility, LogSw

-3.92

Polar Surface Area

84.695

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

G721-0057 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G721-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G721-0057?
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What is the minimum amount of G721-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G721-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G721-0057
  • 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 G721-0057 available by request