G721-0171 Screening compound: ethyl 4-[2-({6-butyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)acetyl]piperazine-1-carboxylate

G721-0171 Screening compound: ethyl 4-[2-({6-butyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)acetyl]piperazine-1-carboxylate
G721-0171 Screening compound: ethyl 4-[2-({6-butyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)acetyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G721-0171
ethyl 4-[2-({6-butyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)acetyl]piperazine-1-carboxylate

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

G721-0171

Molecular Formula

C22H31N5O5S (C22 H31 N5 O5 S)

Compound Name

ethyl 4-[2-({6-butyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}sulfanyl)acetyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[2-({6-butyl-13-dimethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-5-yl}sulfanyl)acetyl]piperazine-1-carboxylate

SMILES

CCCCc(c(SCC(N(CC1)CCN1C(OCC)=O)=O)c1C(N2C)=O)cnc1N(C)C2=O

InChI

InChI=1S/C22H31N5O5S/c1-5-7-8-15-13-23-19-17(20(29)25(4)21(30)24(19)3)18(15)33-14-16(28)26-9-11-27(12-10-26)22(31)32-6-2/h13H,5-12,14H2,1-4H3

InChI Key

ZYEVGFNGYMXRSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08326351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.784

Distribution Coefficient, logD

2.784

Water Solubility, LogSw

-2.73

Polar Surface Area

80.663

Acid Dissociation Constant (pKa)

23.64

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.10

G721-0171 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 G721-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G721-0171?
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What is the minimum amount of G721-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G721-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G721-0171
  • 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 G721-0171 available by request