S719-0090 Screening compound: 1-benzyl-4-[(3-methylbutyl)carbamoyl]pyrrolidine-3-carboxylic acid

S719-0090 Screening compound: 1-benzyl-4-[(3-methylbutyl)carbamoyl]pyrrolidine-3-carboxylic acid
S719-0090 Screening compound: 1-benzyl-4-[(3-methylbutyl)carbamoyl]pyrrolidine-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound S719-0090
1-benzyl-4-[(3-methylbutyl)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

S719-0090

Molecular Formula

C18H26N2O3 (C18 H26 N2 O3)

Compound Name

1-benzyl-4-[(3-methylbutyl)carbamoyl]pyrrolidine-3-carboxylic acid

IUPAC name

(3S4R)-1-benzyl-4-[(3-methylbutyl)carbamoyl]pyrrolidine-3-carboxylic acid

SMILES

CC(C)CCNC([C@H](CN(Cc1ccccc1)C1)[C@H]1C(O)=O)=O

InChI

InChI=1S/C18H26N2O3/c1-13(2)8-9-19-17(21)15-11-20(12-16(15)18(22)23)10-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3,(H,19,21)(H,22,23)/t15-,16+/m1/s1

InChI Key

PTRFTZXKGHJLJC-CVEARBPZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.696

Distribution Coefficient, logD

1.696

Water Solubility, LogSw

-2.46

Polar Surface Area

57.138

Acid Dissociation Constant (pKa)

3.95

Base Dissociation Constant (pKb)

9.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.56

S719-0090 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S719-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S719-0090?
Check Price and Availability of S719-0090, 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 S719-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S719-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S719-0090
  • 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 S719-0090 available by request