S632-4276 Screening compound: N~1~-methyl-4-{1-[2-(trifluoromethoxy)benzoyl]tetrahydro-1H-pyrrol-3-yl}tetrahydro-1(2H)-pyridinecarboxamide

S632-4276 Screening compound: N~1~-methyl-4-{1-[2-(trifluoromethoxy)benzoyl]tetrahydro-1H-pyrrol-3-yl}tetrahydro-1(2H)-pyridinecarboxamide
S632-4276 Screening compound: N~1~-methyl-4-{1-[2-(trifluoromethoxy)benzoyl]tetrahydro-1H-pyrrol-3-yl}tetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S632-4276
N~1~-methyl-4-{1-[2-(trifluoromethoxy)benzoyl]tetrahydro-1H-pyrrol-3-yl}tetrahydro-1(2H)-pyridinecarboxamide

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

S632-4276

Molecular Formula

C19H24F3N3O3 (C19 H24 F3 N3 O3)

Compound Name

N~1~-methyl-4-{1-[2-(trifluoromethoxy)benzoyl]tetrahydro-1H-pyrrol-3-yl}tetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

N-methyl-4-{1-[2-(trifluoromethoxy)benzoyl]pyrrolidin-3-yl}piperidine-1-carboxamide

SMILES

CNC(N(CC1)CCC1C(CC1)CN1C(c(cccc1)c1OC(F)(F)F)=O)=O

InChI

InChI=1S/C19H24F3N3O3/c1-23-18(27)24-9-6-13(7-10-24)14-8-11-25(12-14)17(26)15-4-2-3-5-16(15)28-19(20,21)22/h2-5,13-14H,6-12H2,1H3,(H,23,27)

InChI Key

NYPCAHKWVPTBRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29012851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.974

Distribution Coefficient, logD

2.974

Water Solubility, LogSw

-3.50

Polar Surface Area

50.151

Acid Dissociation Constant (pKa)

16.65

Base Dissociation Constant (pKb)

2.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

S632-4276 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S632-4276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S632-4276?
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What is the minimum amount of S632-4276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S632-4276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S632-4276
  • 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 S632-4276 available by request