S066-0227 Screening compound: N-[(furan-2-yl)methyl]-3-{[6-(pyrrolidin-1-yl)pyrimidin-4-yl]oxy}pyrrolidine-1-carboxamide

S066-0227 Screening compound: N-[(furan-2-yl)methyl]-3-{[6-(pyrrolidin-1-yl)pyrimidin-4-yl]oxy}pyrrolidine-1-carboxamide
S066-0227 Screening compound: N-[(furan-2-yl)methyl]-3-{[6-(pyrrolidin-1-yl)pyrimidin-4-yl]oxy}pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S066-0227
N-[(furan-2-yl)methyl]-3-{[6-(pyrrolidin-1-yl)pyrimidin-4-yl]oxy}pyrrolidine-1-carboxamide

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

S066-0227

Molecular Formula

C18H23N5O3 (C18 H23 N5 O3)

Compound Name

N-[(furan-2-yl)methyl]-3-{[6-(pyrrolidin-1-yl)pyrimidin-4-yl]oxy}pyrrolidine-1-carboxamide

IUPAC name

N-[(furan-2-yl)methyl]-3-{[6-(pyrrolidin-1-yl)pyrimidin-4-yl]oxy}pyrrolidine-1-carboxamide

SMILES

O=C(NCc1ccco1)N(CC1)CC1Oc1ncnc(N2CCCC2)c1

InChI

InChI=1S/C18H23N5O3/c24-18(19-11-14-4-3-9-25-14)23-8-5-15(12-23)26-17-10-16(20-13-21-17)22-6-1-2-7-22/h3-4,9-10,13,15H,1-2,5-8,11-12H2,(H,19,24)/t15-/m1/s1

InChI Key

JGOVPKUXGVMYAP-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD27617576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.535

Distribution Coefficient, logD

2.535

Water Solubility, LogSw

-2.80

Polar Surface Area

64.332

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S066-0227 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)

Soluble Diversity Library (15920 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 S066-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S066-0227?
Check Price and Availability of S066-0227, 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 S066-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S066-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S066-0227
  • 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 S066-0227 available by request