S720-0182 Screening compound: ethyl 3-{[2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carbonyl]amino}propanoate

S720-0182 Screening compound: ethyl 3-{[2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carbonyl]amino}propanoate
S720-0182 Screening compound: ethyl 3-{[2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carbonyl]amino}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S720-0182
ethyl 3-{[2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carbonyl]amino}propanoate

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

S720-0182

Molecular Formula

C21H29N3O6 (C21 H29 N3 O6)

Compound Name

ethyl 3-{[2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carbonyl]amino}propanoate

IUPAC name

ethyl 3-{[(2S4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carbonyl]amino}propanoate

SMILES

CCOC(CCNC(N(C[C@H](C1)Oc2ccccc2)[C@@H]1C(N1CCOCC1)=O)=O)=O

InChI

InChI=1S/C21H29N3O6/c1-2-29-19(25)8-9-22-21(27)24-15-17(30-16-6-4-3-5-7-16)14-18(24)20(26)23-10-12-28-13-11-23/h3-7,17-18H,2,8-15H2,1H3,(H,22,27)/t17-,18+/m1/s1

InChI Key

LIOOCULQYFANAV-MSOLQXFVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.313

Distribution Coefficient, logD

1.313

Water Solubility, LogSw

-2.02

Polar Surface Area

78.113

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.14

S720-0182 in Drug Discovery

Included in Screening Libraries

Natural-Product-Based Library (3730 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S720-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S720-0182?
Check Price and Availability of S720-0182, 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 S720-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S720-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S720-0182
  • 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 S720-0182 available by request