P518-0369 Screening compound: 5-CYCLOPROPYL-N2-[(1-METHYL-1H-1

P518-0369 Screening compound: 5-CYCLOPROPYL-N2-[(1-METHYL-1H-1
P518-0369 Screening compound: 5-CYCLOPROPYL-N2-[(1-METHYL-1H-1 alternative view

Chemical Structure Depiction of ChemDiv screening compound P518-0369
5-CYCLOPROPYL-N2-[(1-METHYL-1H-1

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

P518-0369

Molecular Formula

C19H20N4OS (C19 H20 N4 OS)

Compound Name

5-CYCLOPROPYL-N2-[(1-METHYL-1H-1

IUPAC name

n/a

SMILES

Cn1c(cccc2)c2nc1CNC(c1cc(CN(C2)C3CC3)c2s1)=O

InChI

InChI=1S/C19H20N4OS/c1-22-15-5-3-2-4-14(15)21-18(22)9-20-19(24)16-8-12-10-23(13-6-7-13)11-17(12)25-16/h2-5,8,13H,6-7,9-11H2,1H3,(H,20,24)

InChI Key

RKHSGZNKFUEMPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27603726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.994

Distribution Coefficient, logD

0.468

Water Solubility, LogSw

-3.37

Polar Surface Area

41.234

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

9.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

P518-0369 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Immunological Library (6760 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
Targets:
  • Others

References: we are preparing a list of scientific research reports with P518-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P518-0369?
Check Price and Availability of P518-0369, 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 P518-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P518-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P518-0369
  • 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 P518-0369 available by request