S720-2358 Screening compound: 1-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide

S720-2358 Screening compound: 1-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide
S720-2358 Screening compound: 1-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S720-2358
1-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-N-methyl-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

S720-2358

Molecular Formula

C27H30N4O3 (C27 H30 N4 O3)

Compound Name

1-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide

IUPAC name

(2S4S)-1-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide

SMILES

CNC([C@H](C[C@@H](C1)Oc2ccccc2)N1C(CC1)CCN1C(c1nccc2ccccc12)=O)=O

InChI

InChI=1S/C27H30N4O3/c1-28-26(32)24-17-22(34-21-8-3-2-4-9-21)18-31(24)20-12-15-30(16-13-20)27(33)25-23-10-6-5-7-19(23)11-14-29-25/h2-11,14,20,22,24H,12-13,15-18H2,1H3,(H,28,32)/t22-,24+/m1/s1

InChI Key

XTHHTKJZTKUYKY-VWNXMTODSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.815

Distribution Coefficient, logD

2.797

Water Solubility, LogSw

-2.99

Polar Surface Area

60.617

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

6.03

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.04

S720-2358 in Drug Discovery

Included in Screening Libraries

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

Natural-Product-Based Library (3730 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Mimetics
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S720-2358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S720-2358?
Check Price and Availability of S720-2358, 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 S720-2358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S720-2358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S720-2358
  • 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 S720-2358 available by request