S721-1544 Screening compound: 1-[1-methanesulfonyl-4-(pyridin-3-yloxy)pyrrolidine-2-carbonyl]-4-(pyridin-2-yl)piperazine

S721-1544 Screening compound: 1-[1-methanesulfonyl-4-(pyridin-3-yloxy)pyrrolidine-2-carbonyl]-4-(pyridin-2-yl)piperazine
S721-1544 Screening compound: 1-[1-methanesulfonyl-4-(pyridin-3-yloxy)pyrrolidine-2-carbonyl]-4-(pyridin-2-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound S721-1544
1-[1-methanesulfonyl-4-(pyridin-3-yloxy)pyrrolidine-2-carbonyl]-4-(pyridin-2-yl)piperazine

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

S721-1544

Molecular Formula

C20H25N5O4S (C20 H25 N5 O4 S)

Compound Name

1-[1-methanesulfonyl-4-(pyridin-3-yloxy)pyrrolidine-2-carbonyl]-4-(pyridin-2-yl)piperazine

IUPAC name

1-[(2S4S)-1-methanesulfonyl-4-(pyridin-3-yloxy)pyrrolidine-2-carbonyl]-4-(pyridin-2-yl)piperazine

SMILES

CS(N(C[C@H](C1)Oc2cnccc2)[C@@H]1C(N(CC1)CCN1c1ncccc1)=O)(=O)=O

InChI

InChI=1S/C20H25N5O4S/c1-30(27,28)25-15-17(29-16-5-4-7-21-14-16)13-18(25)20(26)24-11-9-23(10-12-24)19-6-2-3-8-22-19/h2-8,14,17-18H,9-13,15H2,1H3/t17-,18+/m1/s1

InChI Key

GWYBPNFXNBAEFT-MSOLQXFVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.942

Distribution Coefficient, logD

0.933

Water Solubility, LogSw

-1.50

Polar Surface Area

76.683

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.00

S721-1544 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 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

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S721-1544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S721-1544?
Check Price and Availability of S721-1544, 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 S721-1544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S721-1544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S721-1544
  • 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 S721-1544 available by request