S571-0382 Screening compound: N-{[1-(cyclopropylmethyl)-2-oxo-1,2,3,4,5,6-hexahydro-4aH-cyclopenta[b]pyridin-4-yl]methyl}-N'-(3-fluorophenyl)urea

S571-0382 Screening compound: N-{[1-(cyclopropylmethyl)-2-oxo-1,2,3,4,5,6-hexahydro-4aH-cyclopenta[b]pyridin-4-yl]methyl}-N'-(3-fluorophenyl)urea
S571-0382 Screening compound: N-{[1-(cyclopropylmethyl)-2-oxo-1,2,3,4,5,6-hexahydro-4aH-cyclopenta[b]pyridin-4-yl]methyl}-N'-(3-fluorophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S571-0382
N-{[1-(cyclopropylmethyl)-2-oxo-1,2,3,4,5,6-hexahydro-4aH-cyclopenta[b]pyridin-4-yl]methyl}-N'-(3-fluorophenyl)urea

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

S571-0382

Molecular Formula

C20H24FN3O2 (C20 H24 FN3 O2)

Compound Name

N-{[1-(cyclopropylmethyl)-2-oxo-1,2,3,4,5,6-hexahydro-4aH-cyclopenta[b]pyridin-4-yl]methyl}-N'-(3-fluorophenyl)urea

IUPAC name

n/a

SMILES

O=C(NCC1(CCC(N2CC3CC3)=O)C2=CCC1)Nc1cccc(F)c1

InChI

InChI=1S/C20H24FN3O2/c21-15-3-1-4-16(11-15)23-19(26)22-13-20-9-2-5-17(20)24(12-14-6-7-14)18(25)8-10-20/h1,3-5,11,14H,2,6-10,12-13H2,(H2,22,23,26)/t20-/m0/s1

InChI Key

RAANEENBUNFRNS-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD29017794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.789

Distribution Coefficient, logD

3.789

Water Solubility, LogSw

-4.04

Polar Surface Area

50.144

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

2.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S571-0382 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 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
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S571-0382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S571-0382?
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What is the minimum amount of S571-0382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S571-0382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S571-0382
  • 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 S571-0382 available by request