S625-0849 Screening compound: 1-(2-{7-cyclohexyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-4-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one

S625-0849 Screening compound: 1-(2-{7-cyclohexyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-4-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one
S625-0849 Screening compound: 1-(2-{7-cyclohexyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-4-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S625-0849
1-(2-{7-cyclohexyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-4-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one

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

S625-0849

Molecular Formula

C19H31N5O2 (C19 H31 N5 O2)

Compound Name

1-(2-{7-cyclohexyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-4-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one

IUPAC name

1-[(2S4R)-2-{7-cyclohexyl-5H6H7H8H-[124]triazolo[43-a]pyrazin-3-yl}-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one

SMILES

CC(C)C(N(C[C@@H](C1)O)[C@@H]1c1nnc(C2)n1CCN2C1CCCCC1)=O

InChI

InChI=1S/C19H31N5O2/c1-13(2)19(26)24-11-15(25)10-16(24)18-21-20-17-12-22(8-9-23(17)18)14-6-4-3-5-7-14/h13-16,25H,3-12H2,1-2H3/t15-,16-/m0/s1

InChI Key

AXSYTKUONSFJSV-HOTGVXAUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.175

Distribution Coefficient, logD

1.165

Water Solubility, LogSw

-1.15

Polar Surface Area

60.594

Acid Dissociation Constant (pKa)

17.13

Base Dissociation Constant (pKb)

5.77

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

84.21

S625-0849 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)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S625-0849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S625-0849?
Check Price and Availability of S625-0849, 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 S625-0849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S625-0849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S625-0849
  • 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 S625-0849 available by request