T866-1954 Screening compound: N-[(3-chlorophenyl)methyl]-1-(ethanesulfonyl)-4-(pyridin-4-yl)pyrrolidine-3-carboxamide

T866-1954 Screening compound: N-[(3-chlorophenyl)methyl]-1-(ethanesulfonyl)-4-(pyridin-4-yl)pyrrolidine-3-carboxamide
T866-1954 Screening compound: N-[(3-chlorophenyl)methyl]-1-(ethanesulfonyl)-4-(pyridin-4-yl)pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T866-1954
N-[(3-chlorophenyl)methyl]-1-(ethanesulfonyl)-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

T866-1954

Molecular Formula

C19H22ClN3O3S (C19 H22 ClN3 O3 S)

Compound Name

N-[(3-chlorophenyl)methyl]-1-(ethanesulfonyl)-4-(pyridin-4-yl)pyrrolidine-3-carboxamide

IUPAC name

(3S4R)-N-[(3-chlorophenyl)methyl]-1-(ethanesulfonyl)-4-(pyridin-4-yl)pyrrolidine-3-carboxamide

SMILES

CCS(N(C[C@@H]1C(NCc2cccc(Cl)c2)=O)C[C@@H]1c1ccncc1)(=O)=O

InChI

InChI=1S/C19H22ClN3O3S/c1-2-27(25,26)23-12-17(15-6-8-21-9-7-15)18(13-23)19(24)22-11-14-4-3-5-16(20)10-14/h3-10,17-18H,2,11-13H2,1H3,(H,22,24)/t17-,18+/m0/s1

InChI Key

IYWHMCRMPQUGKD-ZWKOTPCHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.936

Distribution Coefficient, logD

1.927

Water Solubility, LogSw

-2.86

Polar Surface Area

65.918

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

5.73

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.84

T866-1954 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)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T866-1954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T866-1954?
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What is the minimum amount of T866-1954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T866-1954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T866-1954
  • 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 T866-1954 available by request