S625-0668 Screening compound: 5-{7-[(3-fluorophenyl)methyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-[(pyridin-3-yl)methyl]pyrrolidin-3-ol

S625-0668 Screening compound: 5-{7-[(3-fluorophenyl)methyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-[(pyridin-3-yl)methyl]pyrrolidin-3-ol
S625-0668 Screening compound: 5-{7-[(3-fluorophenyl)methyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-[(pyridin-3-yl)methyl]pyrrolidin-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S625-0668
5-{7-[(3-fluorophenyl)methyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-[(pyridin-3-yl)methyl]pyrrolidin-3-ol

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

S625-0668

Molecular Formula

C22H25FN6O (C22 H25 FN6 O)

Compound Name

5-{7-[(3-fluorophenyl)methyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-[(pyridin-3-yl)methyl]pyrrolidin-3-ol

IUPAC name

(3R5S)-5-{7-[(3-fluorophenyl)methyl]-5H6H7H8H-[124]triazolo[43-a]pyrazin-3-yl}-1-[(pyridin-3-yl)methyl]pyrrolidin-3-ol

SMILES

O[C@H](C1)CN(Cc2cnccc2)[C@@H]1c1nnc2n1CCN(Cc1cccc(F)c1)C2

InChI

InChI=1S/C22H25FN6O/c23-18-5-1-3-16(9-18)12-27-7-8-29-21(15-27)25-26-22(29)20-10-19(30)14-28(20)13-17-4-2-6-24-11-17/h1-6,9,11,19-20,30H,7-8,10,12-15H2/t19-,20+/m1/s1

InChI Key

YFCAKSIWXSLVCH-UXHICEINSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.613

Distribution Coefficient, logD

0.611

Water Solubility, LogSw

-0.49

Polar Surface Area

57.537

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.91

S625-0668 in Drug Discovery

Included in Screening Libraries

Natural-Product-Based Library (3730 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

TLR-8 ligands Library (674 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Mimetics
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Therapeutical areas:
  • Female
  • Skin
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with S625-0668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S625-0668?
Check Price and Availability of S625-0668, 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 S625-0668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S625-0668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S625-0668
  • 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 S625-0668 available by request