G721-0178 Screening compound: 2-({6-butyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)-N-(3-methylphenyl)acetamide

G721-0178 Screening compound: 2-({6-butyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)-N-(3-methylphenyl)acetamide
G721-0178 Screening compound: 2-({6-butyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)-N-(3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G721-0178
2-({6-butyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)-N-(3-methylphenyl)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

G721-0178

Molecular Formula

C22H26N4O3S (C22 H26 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-(3-methylphenyl)acetamide

IUPAC name

2-({6-butyl-13-dimethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-5-yl}sulfanyl)-N-(3-methylphenyl)acetamide

SMILES

CCCCc(c(SCC(Nc1cc(C)ccc1)=O)c1C(N2C)=O)cnc1N(C)C2=O

InChI

InChI=1S/C22H26N4O3S/c1-5-6-9-15-12-23-20-18(21(28)26(4)22(29)25(20)3)19(15)30-13-17(27)24-16-10-7-8-14(2)11-16/h7-8,10-12H,5-6,9,13H2,1-4H3,(H,24,27)

InChI Key

HUNZPHCVJMMVPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08326358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.54

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

4.343

Distribution Coefficient, logD

4.343

Water Solubility, LogSw

-4.28

Polar Surface Area

64.640

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

G721-0178 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 G721-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of G721-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G721-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G721-0178
  • 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 G721-0178 available by request