S466-0482 Screening compound: 1-{2-[4-(2-fluorophenyl)piperazino]-2-oxoethyl}-2-methyl-1,5,6,7,8,9-hexahydro-11H-pyrrolo[3',2':4,5]pyrimido[1,2-a]azepin-11-one

S466-0482 Screening compound: 1-{2-[4-(2-fluorophenyl)piperazino]-2-oxoethyl}-2-methyl-1,5,6,7,8,9-hexahydro-11H-pyrrolo[3',2':4,5]pyrimido[1,2-a]azepin-11-one
S466-0482 Screening compound: 1-{2-[4-(2-fluorophenyl)piperazino]-2-oxoethyl}-2-methyl-1,5,6,7,8,9-hexahydro-11H-pyrrolo[3',2':4,5]pyrimido[1,2-a]azepin-11-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S466-0482
1-{2-[4-(2-fluorophenyl)piperazino]-2-oxoethyl}-2-methyl-1,5,6,7,8,9-hexahydro-11H-pyrrolo[3',2':4,5]pyrimido[1,2-a]azepin-11-one

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

S466-0482

Molecular Formula

C24H28FN5O2 (C24 H28 FN5 O2)

Compound Name

1-{2-[4-(2-fluorophenyl)piperazino]-2-oxoethyl}-2-methyl-1,5,6,7,8,9-hexahydro-11H-pyrrolo[3',2':4,5]pyrimido[1,2-a]azepin-11-one

IUPAC name

4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-methyl-148-triazatricyclo[7.5.0.0^{37}]tetradeca-3(7)58-trien-2-one

SMILES

Cc1cc(N=C(CCCCC2)N2C2=O)c2n1CC(N(CC1)CCN1c(cccc1)c1F)=O

InChI

InChI=1S/C24H28FN5O2/c1-17-15-19-23(24(32)29-10-6-2-3-9-21(29)26-19)30(17)16-22(31)28-13-11-27(12-14-28)20-8-5-4-7-18(20)25/h4-5,7-8,15H,2-3,6,9-14,16H2,1H3

InChI Key

LNQSUAHPZFZZPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29010850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.250

Distribution Coefficient, logD

2.250

Water Solubility, LogSw

-2.58

Polar Surface Area

47.634

Acid Dissociation Constant (pKa)

20.24

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

S466-0482 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

KRAS-Targeted Library (16000 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
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Kinases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S466-0482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S466-0482?
Check Price and Availability of S466-0482, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S466-0482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S466-0482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S466-0482
  • 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 S466-0482 available by request