S571-0241 Screening compound: N-(4-methylbenzyl)-N'-[(1-methyl-2-oxo-1,2,3,4,5,6-hexahydro-4aH-cyclopenta[b]pyridin-4-yl)methyl]urea

S571-0241 Screening compound: N-(4-methylbenzyl)-N'-[(1-methyl-2-oxo-1,2,3,4,5,6-hexahydro-4aH-cyclopenta[b]pyridin-4-yl)methyl]urea
S571-0241 Screening compound: N-(4-methylbenzyl)-N'-[(1-methyl-2-oxo-1,2,3,4,5,6-hexahydro-4aH-cyclopenta[b]pyridin-4-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S571-0241
N-(4-methylbenzyl)-N'-[(1-methyl-2-oxo-1,2,3,4,5,6-hexahydro-4aH-cyclopenta[b]pyridin-4-yl)methyl]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

S571-0241

Molecular Formula

C19H25N3O2 (C19 H25 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNC(NCC2(CCC(N3C)=O)C3=CCC2)=O)cc1

InChI

InChI=1S/C19H25N3O2/c1-14-5-7-15(8-6-14)12-20-18(24)21-13-19-10-3-4-16(19)22(2)17(23)9-11-19/h4-8H,3,9-13H2,1-2H3,(H2,20,21,24)/t19-/m0/s1

InChI Key

RXUXZVKCHOCYNS-IBGZPJMESA-N

MDL Number (MFCD)

MFCD29017793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.956

Distribution Coefficient, logD

1.956

Water Solubility, LogSw

-2.33

Polar Surface Area

50.980

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

-0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.37

S571-0241 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S571-0241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S571-0241?
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What is the minimum amount of S571-0241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S571-0241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S571-0241
  • 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 S571-0241 available by request