S625-0467 Screening compound: (3R,5S)-5-{7-[(3-fluoro-4-pyridyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-methyltetrahydro-1H-pyrrol-3-ol

S625-0467 Screening compound: (3R,5S)-5-{7-[(3-fluoro-4-pyridyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-methyltetrahydro-1H-pyrrol-3-ol
S625-0467 Screening compound: (3R,5S)-5-{7-[(3-fluoro-4-pyridyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-methyltetrahydro-1H-pyrrol-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S625-0467
(3R,5S)-5-{7-[(3-fluoro-4-pyridyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-methyltetrahydro-1H-pyrrol-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

S625-0467

Molecular Formula

C16H21FN6O (C16 H21 FN6 O)

Compound Name

(3R,5S)-5-{7-[(3-fluoro-4-pyridyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-methyltetrahydro-1H-pyrrol-3-ol

IUPAC name

(3R5S)-5-{7-[(3-fluoropyridin-4-yl)methyl]-5H6H7H8H-[124]triazolo[43-a]pyrazin-3-yl}-1-methylpyrrolidin-3-ol

SMILES

CN(C[C@@H](C1)O)[C@@H]1c1nnc2n1CCN(Cc(ccnc1)c1F)C2

InChI

InChI=1S/C16H21FN6O/c1-21-9-12(24)6-14(21)16-20-19-15-10-22(4-5-23(15)16)8-11-2-3-18-7-13(11)17/h2-3,7,12,14,24H,4-6,8-10H2,1H3/t12-,14-/m0/s1

InChI Key

WIOPJRJGVKSANS-JSGCOSHPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.684

Distribution Coefficient, logD

-0.742

Water Solubility, LogSw

-0.15

Polar Surface Area

57.524

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

6.55

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.25

S625-0467 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S625-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S625-0467?
Check Price and Availability of S625-0467, 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 S625-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S625-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S625-0467
  • 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 S625-0467 available by request