S466-0211 Screening compound: ethyl 4-({2-[2-methyl-10-oxo-5,7,8,10-tetrahydropyrido[1,2-a]pyrrolo[3,2-d]pyrimidin-1(6H)-yl]acetyl}amino)benzoate

S466-0211 Screening compound: ethyl 4-({2-[2-methyl-10-oxo-5,7,8,10-tetrahydropyrido[1,2-a]pyrrolo[3,2-d]pyrimidin-1(6H)-yl]acetyl}amino)benzoate
S466-0211 Screening compound: ethyl 4-({2-[2-methyl-10-oxo-5,7,8,10-tetrahydropyrido[1,2-a]pyrrolo[3,2-d]pyrimidin-1(6H)-yl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S466-0211
ethyl 4-({2-[2-methyl-10-oxo-5,7,8,10-tetrahydropyrido[1,2-a]pyrrolo[3,2-d]pyrimidin-1(6H)-yl]acetyl}amino)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

S466-0211

Molecular Formula

C22H24N4O4 (C22 H24 N4 O4)

Compound Name

ethyl 4-({2-[2-methyl-10-oxo-5,7,8,10-tetrahydropyrido[1,2-a]pyrrolo[3,2-d]pyrimidin-1(6H)-yl]acetyl}amino)benzoate

IUPAC name

ethyl 4-(2-{5-methyl-2-oxo-148-triazatricyclo[7.4.0.0^{37}]trideca-3(7)58-trien-4-yl}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(Cn(c(C)c1)c2c1N=C(CCCC1)N1C2=O)=O)=O

InChI

InChI=1S/C22H24N4O4/c1-3-30-22(29)15-7-9-16(10-8-15)23-19(27)13-26-14(2)12-17-20(26)21(28)25-11-5-4-6-18(25)24-17/h7-10,12H,3-6,11,13H2,1-2H3,(H,23,27)

InChI Key

MSTTYNIHRNUXQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29010761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.592

Distribution Coefficient, logD

2.592

Water Solubility, LogSw

-2.96

Polar Surface Area

71.854

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

S466-0211 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S466-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S466-0211?
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What is the minimum amount of S466-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S466-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S466-0211
  • 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 S466-0211 available by request