S625-0108 Screening compound: 1-[3-[(2S,4R)-4-hydroxy-1-methyltetrahydro-1H-pyrrol-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-propanone

S625-0108 Screening compound: 1-[3-[(2S,4R)-4-hydroxy-1-methyltetrahydro-1H-pyrrol-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-propanone
S625-0108 Screening compound: 1-[3-[(2S,4R)-4-hydroxy-1-methyltetrahydro-1H-pyrrol-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S625-0108
1-[3-[(2S,4R)-4-hydroxy-1-methyltetrahydro-1H-pyrrol-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-propanone

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

S625-0108

Molecular Formula

C21H25N7O3 (C21 H25 N7 O3)

Compound Name

1-[3-[(2S,4R)-4-hydroxy-1-methyltetrahydro-1H-pyrrol-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-propanone

IUPAC name

n/a

SMILES

CN(C[C@@H](C1)O)[C@@H]1c1nnc(C2)n1CCN2C(CCc1nc(-c2ccccc2)no1)=O

InChI

InChI=1S/C21H25N7O3/c1-26-12-15(29)11-16(26)21-24-23-17-13-27(9-10-28(17)21)19(30)8-7-18-22-20(25-31-18)14-5-3-2-4-6-14/h2-6,15-16,29H,7-13H2,1H3/t15-,16-/m0/s1

InChI Key

YOGYDILQWCJHQG-HOTGVXAUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.430

Distribution Coefficient, logD

0.383

Water Solubility, LogSw

-1.52

Polar Surface Area

91.737

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

6.45

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.62

S625-0108 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S625-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S625-0108?
Check Price and Availability of S625-0108, 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 S625-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S625-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S625-0108
  • 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 S625-0108 available by request