S466-0241 Screening compound: N~1~-(4-methoxyphenyl)-2-[2-methyl-10-oxo-5,7,8,10-tetrahydropyrido[1,2-a]pyrrolo[3,2-d]pyrimidin-1(6H)-yl]acetamide

S466-0241 Screening compound: N~1~-(4-methoxyphenyl)-2-[2-methyl-10-oxo-5,7,8,10-tetrahydropyrido[1,2-a]pyrrolo[3,2-d]pyrimidin-1(6H)-yl]acetamide
S466-0241 Screening compound: N~1~-(4-methoxyphenyl)-2-[2-methyl-10-oxo-5,7,8,10-tetrahydropyrido[1,2-a]pyrrolo[3,2-d]pyrimidin-1(6H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S466-0241
N~1~-(4-methoxyphenyl)-2-[2-methyl-10-oxo-5,7,8,10-tetrahydropyrido[1,2-a]pyrrolo[3,2-d]pyrimidin-1(6H)-yl]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

S466-0241

Molecular Formula

C20H22N4O3 (C20 H22 N4 O3)

Compound Name

N~1~-(4-methoxyphenyl)-2-[2-methyl-10-oxo-5,7,8,10-tetrahydropyrido[1,2-a]pyrrolo[3,2-d]pyrimidin-1(6H)-yl]acetamide

IUPAC name

N-(4-methoxyphenyl)-2-{5-methyl-2-oxo-148-triazatricyclo[7.4.0.0^{37}]trideca-3(7)58-trien-4-yl}acetamide

SMILES

Cc1cc(N=C(CCCC2)N2C2=O)c2n1CC(Nc(cc1)ccc1OC)=O

InChI

InChI=1S/C20H22N4O3/c1-13-11-16-19(20(26)23-10-4-3-5-17(23)22-16)24(13)12-18(25)21-14-6-8-15(27-2)9-7-14/h6-9,11H,3-5,10,12H2,1-2H3,(H,21,25)

InChI Key

QBKCUDPGPKHERA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29010763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.973

Distribution Coefficient, logD

1.973

Water Solubility, LogSw

-2.80

Polar Surface Area

58.644

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

S466-0241 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S466-0241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S466-0241?
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What is the minimum amount of S466-0241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S466-0241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S466-0241
  • 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 S466-0241 available by request