S625-0635 Screening compound: (3R,5S)-5-{7-[(5-methyl-2-thienyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-(3-pyridylmethyl)tetrahydro-1H-pyrrol-3-ol

S625-0635 Screening compound: (3R,5S)-5-{7-[(5-methyl-2-thienyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-(3-pyridylmethyl)tetrahydro-1H-pyrrol-3-ol
S625-0635 Screening compound: (3R,5S)-5-{7-[(5-methyl-2-thienyl)methyl]-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 S625-0635
(3R,5S)-5-{7-[(5-methyl-2-thienyl)methyl]-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

S625-0635

Molecular Formula

C21H26N6OS (C21 H26 N6 OS)

Compound Name

(3R,5S)-5-{7-[(5-methyl-2-thienyl)methyl]-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-[(5-methylthiophen-2-yl)methyl]-5H6H7H8H-[124]triazolo[43-a]pyrazin-3-yl}-1-[(pyridin-3-yl)methyl]pyrrolidin-3-ol

SMILES

Cc1ccc(CN2Cc3nnc([C@H](C4)N(Cc5cnccc5)C[C@@H]4O)n3CC2)s1

InChI

InChI=1S/C21H26N6OS/c1-15-4-5-18(29-15)13-25-7-8-27-20(14-25)23-24-21(27)19-9-17(28)12-26(19)11-16-3-2-6-22-10-16/h2-6,10,17,19,28H,7-9,11-14H2,1H3/t17-,19-/m0/s1

InChI Key

ZSYIPIHLODRELG-HKUYNNGSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.54

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

0.881

Distribution Coefficient, logD

0.874

Water Solubility, LogSw

-0.88

Polar Surface Area

58.555

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

5.61

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.62

S625-0635 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

TLR-8 ligands Library (674 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
Structure:
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Female
  • Skin
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with S625-0635 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S625-0635?
Check Price and Availability of S625-0635, 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 S625-0635 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S625-0635
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S625-0635
  • 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 S625-0635 available by request