S719-0153 Screening compound: 1-benzyl-4-({[4-(4-methylpiperazin-1-yl)phenyl]methyl}carbamoyl)pyrrolidine-3-carboxylic acid

S719-0153 Screening compound: 1-benzyl-4-({[4-(4-methylpiperazin-1-yl)phenyl]methyl}carbamoyl)pyrrolidine-3-carboxylic acid
S719-0153 Screening compound: 1-benzyl-4-({[4-(4-methylpiperazin-1-yl)phenyl]methyl}carbamoyl)pyrrolidine-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound S719-0153
1-benzyl-4-({[4-(4-methylpiperazin-1-yl)phenyl]methyl}carbamoyl)pyrrolidine-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

S719-0153

Molecular Formula

C25H32N4O3 (C25 H32 N4 O3)

Compound Name

1-benzyl-4-({[4-(4-methylpiperazin-1-yl)phenyl]methyl}carbamoyl)pyrrolidine-3-carboxylic acid

IUPAC name

(3S4R)-1-benzyl-4-({[4-(4-methylpiperazin-1-yl)phenyl]methyl}carbamoyl)pyrrolidine-3-carboxylic acid

SMILES

CN(CC1)CCN1c1ccc(CNC([C@H](CN(Cc2ccccc2)C2)[C@H]2C(O)=O)=O)cc1

InChI

InChI=1S/C25H32N4O3/c1-27-11-13-29(14-12-27)21-9-7-19(8-10-21)15-26-24(30)22-17-28(18-23(22)25(31)32)16-20-5-3-2-4-6-20/h2-10,22-23H,11-18H2,1H3,(H,26,30)(H,31,32)/t22-,23+/m1/s1

InChI Key

YXODOZICLNNGAG-PKTZIBPZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.125

Distribution Coefficient, logD

1.125

Water Solubility, LogSw

-2.19

Polar Surface Area

63.954

Acid Dissociation Constant (pKa)

3.95

Base Dissociation Constant (pKb)

9.17

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.00

S719-0153 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S719-0153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S719-0153?
Check Price and Availability of S719-0153, 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 S719-0153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S719-0153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S719-0153
  • 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 S719-0153 available by request