S902-1613 Screening compound: 1-(2-{7-[(4-methoxyphenyl)sulfonyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}piperidino)-1-propanone

S902-1613 Screening compound: 1-(2-{7-[(4-methoxyphenyl)sulfonyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}piperidino)-1-propanone
S902-1613 Screening compound: 1-(2-{7-[(4-methoxyphenyl)sulfonyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}piperidino)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S902-1613
1-(2-{7-[(4-methoxyphenyl)sulfonyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}piperidino)-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

S902-1613

Molecular Formula

C20H27N5O4S (C20 H27 N5 O4 S)

Compound Name

1-(2-{7-[(4-methoxyphenyl)sulfonyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}piperidino)-1-propanone

IUPAC name

1-{2-[7-(4-methoxybenzenesulfonyl)-5H6H7H8H-[124]triazolo[43-a]pyrazin-3-yl]piperidin-1-yl}propan-1-one

SMILES

CCC(N(CCCC1)C1c1nnc(C2)n1CCN2S(c(cc1)ccc1OC)(=O)=O)=O

InChI

InChI=1S/C20H27N5O4S/c1-3-19(26)24-11-5-4-6-17(24)20-22-21-18-14-23(12-13-25(18)20)30(27,28)16-9-7-15(29-2)8-10-16/h7-10,17H,3-6,11-14H2,1-2H3/t17-/m0/s1

InChI Key

FUEXGFLSETWICB-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.380

Distribution Coefficient, logD

1.380

Water Solubility, LogSw

-2.49

Polar Surface Area

80.014

Acid Dissociation Constant (pKa)

20.46

Base Dissociation Constant (pKb)

4.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

S902-1613 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 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
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S902-1613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S902-1613?
Check Price and Availability of S902-1613, 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 S902-1613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S902-1613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S902-1613
  • 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 S902-1613 available by request