T866-1876 Screening compound: N-(3-ethylphenyl)-1-methanesulfonyl-4-(pyridin-4-yl)pyrrolidine-3-carboxamide

T866-1876 Screening compound: N-(3-ethylphenyl)-1-methanesulfonyl-4-(pyridin-4-yl)pyrrolidine-3-carboxamide
T866-1876 Screening compound: N-(3-ethylphenyl)-1-methanesulfonyl-4-(pyridin-4-yl)pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T866-1876
N-(3-ethylphenyl)-1-methanesulfonyl-4-(pyridin-4-yl)pyrrolidine-3-carboxamide

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

T866-1876

Molecular Formula

C19H23N3O3S (C19 H23 N3 O3 S)

Compound Name

N-(3-ethylphenyl)-1-methanesulfonyl-4-(pyridin-4-yl)pyrrolidine-3-carboxamide

IUPAC name

(3S4R)-N-(3-ethylphenyl)-1-methanesulfonyl-4-(pyridin-4-yl)pyrrolidine-3-carboxamide

SMILES

CCc1cccc(NC([C@@H](CN(C2)S(C)(=O)=O)[C@H]2c2ccncc2)=O)c1

InChI

InChI=1S/C19H23N3O3S/c1-3-14-5-4-6-16(11-14)21-19(23)18-13-22(26(2,24)25)12-17(18)15-7-9-20-10-8-15/h4-11,17-18H,3,12-13H2,1-2H3,(H,21,23)/t17-,18+/m0/s1

InChI Key

MFZZGOBNWASVPG-ZWKOTPCHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.233

Distribution Coefficient, logD

2.224

Water Solubility, LogSw

-2.81

Polar Surface Area

64.194

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

5.73

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.80

T866-1876 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 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

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T866-1876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T866-1876?
Check Price and Availability of T866-1876, 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 T866-1876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T866-1876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T866-1876
  • 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 T866-1876 available by request