S625-0633 Screening compound: (3R,5S)-5-[7-(2-ethoxybenzyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1-(3-pyridylmethyl)tetrahydro-1H-pyrrol-3-ol

S625-0633 Screening compound: (3R,5S)-5-[7-(2-ethoxybenzyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1-(3-pyridylmethyl)tetrahydro-1H-pyrrol-3-ol
S625-0633 Screening compound: (3R,5S)-5-[7-(2-ethoxybenzyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1-(3-pyridylmethyl)tetrahydro-1H-pyrrol-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S625-0633
(3R,5S)-5-[7-(2-ethoxybenzyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1-(3-pyridylmethyl)tetrahydro-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

S625-0633

Molecular Formula

C24H30N6O2 (C24 H30 N6 O2)

Compound Name

(3R,5S)-5-[7-(2-ethoxybenzyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1-(3-pyridylmethyl)tetrahydro-1H-pyrrol-3-ol

IUPAC name

(3R5S)-5-{7-[(2-ethoxyphenyl)methyl]-5H6H7H8H-[124]triazolo[43-a]pyrazin-3-yl}-1-[(pyridin-3-yl)methyl]pyrrolidin-3-ol

SMILES

CCOc1c(CN2Cc3nnc([C@H](C4)N(Cc5cnccc5)C[C@@H]4O)n3CC2)cccc1

InChI

InChI=1S/C24H30N6O2/c1-2-32-22-8-4-3-7-19(22)15-28-10-11-30-23(17-28)26-27-24(30)21-12-20(31)16-29(21)14-18-6-5-9-25-13-18/h3-9,13,20-21,31H,2,10-12,14-17H2,1H3/t20-,21-/m0/s1

InChI Key

WNCDHARLUSCIFE-SFTDATJTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.985

Distribution Coefficient, logD

0.979

Water Solubility, LogSw

-0.93

Polar Surface Area

64.747

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.83

S625-0633 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with S625-0633 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S625-0633?
Check Price and Availability of S625-0633, 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 S625-0633 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S625-0633
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S625-0633
  • 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 S625-0633 available by request