S466-0316 Screening compound: N~1~-(2-chloro-6-methylphenyl)-2-[2-methyl-10-oxo-5,7,8,10-tetrahydropyrido[1,2-a]pyrrolo[3,2-d]pyrimidin-1(6H)-yl]acetamide

S466-0316 Screening compound: N~1~-(2-chloro-6-methylphenyl)-2-[2-methyl-10-oxo-5,7,8,10-tetrahydropyrido[1,2-a]pyrrolo[3,2-d]pyrimidin-1(6H)-yl]acetamide
S466-0316 Screening compound: N~1~-(2-chloro-6-methylphenyl)-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 S466-0316
N~1~-(2-chloro-6-methylphenyl)-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

S466-0316

Molecular Formula

C20H21ClN4O2 (C20 H21 ClN4 O2)

Compound Name

N~1~-(2-chloro-6-methylphenyl)-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-(2-chloro-6-methylphenyl)-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(c(C)ccc1)c1Cl)=O

InChI

InChI=1S/C20H21ClN4O2/c1-12-6-5-7-14(21)18(12)23-17(26)11-25-13(2)10-15-19(25)20(27)24-9-4-3-8-16(24)22-15/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,23,26)

InChI Key

DPLMHDHSLMAEMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29010881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.690

Distribution Coefficient, logD

2.690

Water Solubility, LogSw

-3.36

Polar Surface Area

49.705

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

S466-0316 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S466-0316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S466-0316?
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What is the minimum amount of S466-0316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S466-0316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S466-0316
  • 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 S466-0316 available by request