SA17-0202 Screening compound: N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-2-methyl-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide

SA17-0202 Screening compound: N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-2-methyl-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
SA17-0202 Screening compound: N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-2-methyl-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA17-0202
N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-2-methyl-1-(2-methylpropyl)-6-oxopiperidine-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

SA17-0202

Molecular Formula

C24H36FN3O2 (C24 H36 FN3 O2)

Compound Name

N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-2-methyl-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide

IUPAC name

(2R3R)-N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-2-methyl-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide

SMILES

CC(C)CN([C@@H](C)[C@H](CC1)C(NCC2CCN(Cc(cc3)ccc3F)CC2)=O)C1=O

InChI

InChI=1S/C24H36FN3O2/c1-17(2)15-28-18(3)22(8-9-23(28)29)24(30)26-14-19-10-12-27(13-11-19)16-20-4-6-21(25)7-5-20/h4-7,17-19,22H,8-16H2,1-3H3,(H,26,30)/t18-,22-/m0/s1

InChI Key

YYCJHHGSANZWMD-AVRDEDQJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.498

Distribution Coefficient, logD

1.708

Water Solubility, LogSw

-3.86

Polar Surface Area

44.480

Acid Dissociation Constant (pKa)

13.88

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.67

SA17-0202 in Drug Discovery

Included in Screening Libraries

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

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

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA17-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA17-0202?
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What is the minimum amount of SA17-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA17-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA17-0202
  • 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 SA17-0202 available by request