S719-0100 Screening compound: (3S,4R)-1-benzyl-4-[(4-morpholinoanilino)carbonyl]tetrahydro-1H-pyrrole-3-carboxylic acid

S719-0100 Screening compound: (3S,4R)-1-benzyl-4-[(4-morpholinoanilino)carbonyl]tetrahydro-1H-pyrrole-3-carboxylic acid
S719-0100 Screening compound: (3S,4R)-1-benzyl-4-[(4-morpholinoanilino)carbonyl]tetrahydro-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound S719-0100
(3S,4R)-1-benzyl-4-[(4-morpholinoanilino)carbonyl]tetrahydro-1H-pyrrole-3-carboxylic acid

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

S719-0100

Molecular Formula

C23H27N3O4 (C23 H27 N3 O4)

Compound Name

(3S,4R)-1-benzyl-4-[(4-morpholinoanilino)carbonyl]tetrahydro-1H-pyrrole-3-carboxylic acid

IUPAC name

n/a

SMILES

OC([C@@H](CN(Cc1ccccc1)C1)[C@@H]1C(Nc(cc1)ccc1N1CCOCC1)=O)=O

InChI

InChI=1S/C23H27N3O4/c27-22(24-18-6-8-19(9-7-18)26-10-12-30-13-11-26)20-15-25(16-21(20)23(28)29)14-17-4-2-1-3-5-17/h1-9,20-21H,10-16H2,(H,24,27)(H,28,29)/t20-,21+/m1/s1

InChI Key

VHLWTZHOLDACAH-RTWAWAEBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.672

Distribution Coefficient, logD

-1.009

Water Solubility, LogSw

-2.33

Polar Surface Area

67.064

Acid Dissociation Constant (pKa)

3.95

Base Dissociation Constant (pKb)

8.28

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.10

S719-0100 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S719-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S719-0100?
Check Price and Availability of S719-0100, 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 S719-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S719-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S719-0100
  • 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 S719-0100 available by request