S328-0187 Screening compound: (3S,4R)-3-[(dimethylamino)methyl]-4-(1-isopentyl-4-piperidyl)-N~1~-methyltetrahydro-1H-pyrrole-1-carboxamide

S328-0187 Screening compound: (3S,4R)-3-[(dimethylamino)methyl]-4-(1-isopentyl-4-piperidyl)-N~1~-methyltetrahydro-1H-pyrrole-1-carboxamide
S328-0187 Screening compound: (3S,4R)-3-[(dimethylamino)methyl]-4-(1-isopentyl-4-piperidyl)-N~1~-methyltetrahydro-1H-pyrrole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S328-0187
(3S,4R)-3-[(dimethylamino)methyl]-4-(1-isopentyl-4-piperidyl)-N~1~-methyltetrahydro-1H-pyrrole-1-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

S328-0187

Molecular Formula

C19H38N4O (C19 H38 N4 O)

Compound Name

(3S,4R)-3-[(dimethylamino)methyl]-4-(1-isopentyl-4-piperidyl)-N~1~-methyltetrahydro-1H-pyrrole-1-carboxamide

IUPAC name

(3S4R)-3-[(dimethylamino)methyl]-N-methyl-4-[1-(3-methylbutyl)piperidin-4-yl]pyrrolidine-1-carboxamide

SMILES

CC(C)CCN(CC1)CCC1[C@@H](C1)[C@@H](CN(C)C)CN1C(NC)=O

InChI

InChI=1S/C19H38N4O/c1-15(2)6-9-22-10-7-16(8-11-22)18-14-23(19(24)20-3)13-17(18)12-21(4)5/h15-18H,6-14H2,1-5H3,(H,20,24)/t17-,18+/m1/s1

InChI Key

VXELFTPCCWCJHF-MSOLQXFVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.334

Distribution Coefficient, logD

0.505

Water Solubility, LogSw

-2.51

Polar Surface Area

35.283

Acid Dissociation Constant (pKa)

16.65

Base Dissociation Constant (pKb)

9.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

94.74

S328-0187 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)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with S328-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S328-0187?
Check Price and Availability of S328-0187, 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 S328-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S328-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S328-0187
  • 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 S328-0187 available by request