S571-0212 Screening compound: 1-(4-methoxyphenyl)-3-({1-methyl-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)urea

S571-0212 Screening compound: 1-(4-methoxyphenyl)-3-({1-methyl-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)urea
S571-0212 Screening compound: 1-(4-methoxyphenyl)-3-({1-methyl-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S571-0212
1-(4-methoxyphenyl)-3-({1-methyl-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-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

S571-0212

Molecular Formula

C18H23N3O3 (C18 H23 N3 O3)

Compound Name

1-(4-methoxyphenyl)-3-({1-methyl-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)urea

IUPAC name

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

SMILES

CN(C1=CCCC1(CNC(Nc(cc1)ccc1OC)=O)CC1)C1=O

InChI

InChI=1S/C18H23N3O3/c1-21-15-4-3-10-18(15,11-9-16(21)22)12-19-17(23)20-13-5-7-14(24-2)8-6-13/h4-8H,3,9-12H2,1-2H3,(H2,19,20,23)/t18-/m0/s1

InChI Key

NMYVRXVMUOAILG-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31960822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.266

Distribution Coefficient, logD

2.266

Water Solubility, LogSw

-2.85

Polar Surface Area

57.202

Acid Dissociation Constant (pKa)

13.40

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

S571-0212 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 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
  • Cyclic compounds
Therapeutical areas:
  • Immune system
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S571-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S571-0212?
Check Price and Availability of S571-0212, 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 S571-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S571-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S571-0212
  • 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 S571-0212 available by request