S721-0066 Screening compound: 4-[1-(1-methylcyclohexanecarbonyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carbonyl]morpholine

S721-0066 Screening compound: 4-[1-(1-methylcyclohexanecarbonyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carbonyl]morpholine
S721-0066 Screening compound: 4-[1-(1-methylcyclohexanecarbonyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carbonyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound S721-0066
4-[1-(1-methylcyclohexanecarbonyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carbonyl]morpholine

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

S721-0066

Molecular Formula

C22H31N3O4 (C22 H31 N3 O4)

Compound Name

4-[1-(1-methylcyclohexanecarbonyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carbonyl]morpholine

IUPAC name

4-[(2S4S)-1-(1-methylcyclohexanecarbonyl)-4-(pyridin-3-yloxy)pyrrolidine-2-carbonyl]morpholine

SMILES

CC1(CCCCC1)C(N(C[C@H](C1)Oc2cnccc2)[C@@H]1C(N1CCOCC1)=O)=O

InChI

InChI=1S/C22H31N3O4/c1-22(7-3-2-4-8-22)21(27)25-16-18(29-17-6-5-9-23-15-17)14-19(25)20(26)24-10-12-28-13-11-24/h5-6,9,15,18-19H,2-4,7-8,10-14,16H2,1H3/t18-,19+/m1/s1

InChI Key

QBZDLPQNWBGBQA-MOPGFXCFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.702

Distribution Coefficient, logD

1.690

Water Solubility, LogSw

-1.15

Polar Surface Area

57.409

Acid Dissociation Constant (pKa)

21.55

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

68.18

S721-0066 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Natural-Product-Based Library (3730 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S721-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S721-0066?
Check Price and Availability of S721-0066, 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 S721-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S721-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S721-0066
  • 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 S721-0066 available by request