S720-1040 Screening compound: N-cyclopropyl-1-(2-methylpropanoyl)-4-phenoxypyrrolidine-2-carboxamide

S720-1040 Screening compound: N-cyclopropyl-1-(2-methylpropanoyl)-4-phenoxypyrrolidine-2-carboxamide
S720-1040 Screening compound: N-cyclopropyl-1-(2-methylpropanoyl)-4-phenoxypyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S720-1040
N-cyclopropyl-1-(2-methylpropanoyl)-4-phenoxypyrrolidine-2-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

S720-1040

Molecular Formula

C18H24N2O3 (C18 H24 N2 O3)

Compound Name

N-cyclopropyl-1-(2-methylpropanoyl)-4-phenoxypyrrolidine-2-carboxamide

IUPAC name

(2S4S)-N-cyclopropyl-1-(2-methylpropanoyl)-4-phenoxypyrrolidine-2-carboxamide

SMILES

CC(C)C(N(C[C@H](C1)Oc2ccccc2)[C@@H]1C(NC1CC1)=O)=O

InChI

InChI=1S/C18H24N2O3/c1-12(2)18(22)20-11-15(23-14-6-4-3-5-7-14)10-16(20)17(21)19-13-8-9-13/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,19,21)/t15-,16+/m1/s1

InChI Key

JBZDZYWWQZGMAO-CVEARBPZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.381

Distribution Coefficient, logD

2.381

Water Solubility, LogSw

-2.59

Polar Surface Area

47.883

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.56

S720-1040 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Natural-Product-Based Library (3730 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

Structure:
  • 3D
  • Pool
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S720-1040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S720-1040?
Check Price and Availability of S720-1040, 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 S720-1040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S720-1040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S720-1040
  • 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 S720-1040 available by request