S571-0232 Screening compound: N-[(1-METHYL-2-OXO-1,2,3,4,5,6-HEXAHYDRO-4AH-CYCLOPENTA[B]PYRIDIN-4-YL)METHYL]-N'-PHENYLUREA

S571-0232 Screening compound: N-[(1-METHYL-2-OXO-1,2,3,4,5,6-HEXAHYDRO-4AH-CYCLOPENTA[B]PYRIDIN-4-YL)METHYL]-N'-PHENYLUREA
S571-0232 Screening compound: N-[(1-METHYL-2-OXO-1,2,3,4,5,6-HEXAHYDRO-4AH-CYCLOPENTA[B]PYRIDIN-4-YL)METHYL]-N'-PHENYLUREA alternative view

Chemical Structure Depiction of ChemDiv screening compound S571-0232
N-[(1-METHYL-2-OXO-1,2,3,4,5,6-HEXAHYDRO-4AH-CYCLOPENTA[B]PYRIDIN-4-YL)METHYL]-N'-PHENYLUREA

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

S571-0232

Molecular Formula

C17H21N3O2 (C17 H21 N3 O2)

Compound Name

N-[(1-METHYL-2-OXO-1,2,3,4,5,6-HEXAHYDRO-4AH-CYCLOPENTA[B]PYRIDIN-4-YL)METHYL]-N'-PHENYLUREA

IUPAC name

3-({1-methyl-2-oxo-1H2H3H4H4aH5H6H-cyclopenta[b]pyridin-4a-yl}methyl)-1-phenylurea

SMILES

CN(C1=CCCC1(CNC(Nc1ccccc1)=O)CC1)C1=O

InChI

InChI=1S/C17H21N3O2/c1-20-14-8-5-10-17(14,11-9-15(20)21)12-18-16(22)19-13-6-3-2-4-7-13/h2-4,6-8H,5,9-12H2,1H3,(H2,18,19,22)/t17-/m0/s1

InChI Key

QNCZVKWSFFKBQV-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD30462890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.092

Distribution Coefficient, logD

2.092

Water Solubility, LogSw

-2.70

Polar Surface Area

49.658

Acid Dissociation Constant (pKa)

13.72

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.18

S571-0232 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S571-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S571-0232?
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What is the minimum amount of S571-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S571-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S571-0232
  • 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 S571-0232 available by request