S632-4346 Screening compound: 4-{1-[2-(3-chloro-4-methoxyphenyl)acetyl]tetrahydro-1H-pyrrol-3-yl}-N~1~-methyltetrahydro-1(2H)-pyridinecarboxamide

S632-4346 Screening compound: 4-{1-[2-(3-chloro-4-methoxyphenyl)acetyl]tetrahydro-1H-pyrrol-3-yl}-N~1~-methyltetrahydro-1(2H)-pyridinecarboxamide
S632-4346 Screening compound: 4-{1-[2-(3-chloro-4-methoxyphenyl)acetyl]tetrahydro-1H-pyrrol-3-yl}-N~1~-methyltetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S632-4346
4-{1-[2-(3-chloro-4-methoxyphenyl)acetyl]tetrahydro-1H-pyrrol-3-yl}-N~1~-methyltetrahydro-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

S632-4346

Molecular Formula

C20H28ClN3O3 (C20 H28 ClN3 O3)

Compound Name

4-{1-[2-(3-chloro-4-methoxyphenyl)acetyl]tetrahydro-1H-pyrrol-3-yl}-N~1~-methyltetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

4-{1-[2-(3-chloro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl}-N-methylpiperidine-1-carboxamide

SMILES

CNC(N(CC1)CCC1C(CC1)CN1C(Cc(cc1)cc(Cl)c1OC)=O)=O

InChI

InChI=1S/C20H28ClN3O3/c1-22-20(26)23-8-5-15(6-9-23)16-7-10-24(13-16)19(25)12-14-3-4-18(27-2)17(21)11-14/h3-4,11,15-16H,5-10,12-13H2,1-2H3,(H,22,26)/t16-/m1/s1

InChI Key

PYLIPABBIOFAPH-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD29013983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.91

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

2.504

Distribution Coefficient, logD

2.504

Water Solubility, LogSw

-3.36

Polar Surface Area

51.231

Acid Dissociation Constant (pKa)

16.65

Base Dissociation Constant (pKb)

2.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

S632-4346 in Drug Discovery

Included in Screening Libraries

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

Structure:
  • 3D
  • Mimetics
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S632-4346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S632-4346?
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What is the minimum amount of S632-4346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S632-4346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S632-4346
  • 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 S632-4346 available by request