S466-0411 Screening compound: N~1~-cyclopentyl-2-(2-methyl-11-oxo-5,6,7,8,9,11-hexahydro-1H-pyrrolo[3',2':4,5]pyrimido[1,2-a]azepin-1-yl)acetamide

S466-0411 Screening compound: N~1~-cyclopentyl-2-(2-methyl-11-oxo-5,6,7,8,9,11-hexahydro-1H-pyrrolo[3',2':4,5]pyrimido[1,2-a]azepin-1-yl)acetamide
S466-0411 Screening compound: N~1~-cyclopentyl-2-(2-methyl-11-oxo-5,6,7,8,9,11-hexahydro-1H-pyrrolo[3',2':4,5]pyrimido[1,2-a]azepin-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S466-0411
N~1~-cyclopentyl-2-(2-methyl-11-oxo-5,6,7,8,9,11-hexahydro-1H-pyrrolo[3',2':4,5]pyrimido[1,2-a]azepin-1-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

S466-0411

Molecular Formula

C19H26N4O2 (C19 H26 N4 O2)

Compound Name

N~1~-cyclopentyl-2-(2-methyl-11-oxo-5,6,7,8,9,11-hexahydro-1H-pyrrolo[3',2':4,5]pyrimido[1,2-a]azepin-1-yl)acetamide

IUPAC name

N-cyclopentyl-2-{5-methyl-2-oxo-148-triazatricyclo[7.5.0.0^{37}]tetradeca-3(7)58-trien-4-yl}acetamide

SMILES

Cc1cc(N=C(CCCCC2)N2C2=O)c2n1CC(NC1CCCC1)=O

InChI

InChI=1S/C19H26N4O2/c1-13-11-15-18(19(25)22-10-6-2-3-9-16(22)21-15)23(13)12-17(24)20-14-7-4-5-8-14/h11,14H,2-10,12H2,1H3,(H,20,24)

InChI Key

KAQJNUSKCMEBHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29012523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.44

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

1.830

Distribution Coefficient, logD

1.830

Water Solubility, LogSw

-2.23

Polar Surface Area

52.845

Acid Dissociation Constant (pKa)

15.96

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.20

S466-0411 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Hemic and lymphatic
  • Nervous system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S466-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S466-0411?
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What is the minimum amount of S466-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S466-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S466-0411
  • 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 S466-0411 available by request