S421-1110 Screening compound: N-(3-methylphenyl)-3-({[(pyridin-4-yl)methyl]carbamoyl}methyl)pyrrolidine-1-carboxamide

S421-1110 Screening compound: N-(3-methylphenyl)-3-({[(pyridin-4-yl)methyl]carbamoyl}methyl)pyrrolidine-1-carboxamide
S421-1110 Screening compound: N-(3-methylphenyl)-3-({[(pyridin-4-yl)methyl]carbamoyl}methyl)pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S421-1110
N-(3-methylphenyl)-3-({[(pyridin-4-yl)methyl]carbamoyl}methyl)pyrrolidine-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

S421-1110

Molecular Formula

C20H24N4O2 (C20 H24 N4 O2)

Compound Name

N-(3-methylphenyl)-3-({[(pyridin-4-yl)methyl]carbamoyl}methyl)pyrrolidine-1-carboxamide

IUPAC name

N-(3-methylphenyl)-3-({[(pyridin-4-yl)methyl]carbamoyl}methyl)pyrrolidine-1-carboxamide

SMILES

Cc1cccc(NC(N2CC(CC(NCc3ccncc3)=O)CC2)=O)c1

InChI

InChI=1S/C20H24N4O2/c1-15-3-2-4-18(11-15)23-20(26)24-10-7-17(14-24)12-19(25)22-13-16-5-8-21-9-6-16/h2-6,8-9,11,17H,7,10,12-14H2,1H3,(H,22,25)(H,23,26)/t17-/m0/s1

InChI Key

PUQRIJWIOBADCG-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD31974927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.876

Distribution Coefficient, logD

1.873

Water Solubility, LogSw

-2.14

Polar Surface Area

59.635

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

S421-1110 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S421-1110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S421-1110?
Check Price and Availability of S421-1110, 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 S421-1110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S421-1110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S421-1110
  • 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 S421-1110 available by request