S904-1288 Screening compound: 1-[3-[(2S,4S)-4-hydroxy-1-(tetrahydro-2H-pyran-4-ylcarbonyl)tetrahydro-1H-pyrrol-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-methyl-1-propanone

S904-1288 Screening compound: 1-[3-[(2S,4S)-4-hydroxy-1-(tetrahydro-2H-pyran-4-ylcarbonyl)tetrahydro-1H-pyrrol-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-methyl-1-propanone
S904-1288 Screening compound: 1-[3-[(2S,4S)-4-hydroxy-1-(tetrahydro-2H-pyran-4-ylcarbonyl)tetrahydro-1H-pyrrol-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-methyl-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S904-1288
1-[3-[(2S,4S)-4-hydroxy-1-(tetrahydro-2H-pyran-4-ylcarbonyl)tetrahydro-1H-pyrrol-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-methyl-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

S904-1288

Molecular Formula

C19H29N5O4 (C19 H29 N5 O4)

Compound Name

1-[3-[(2S,4S)-4-hydroxy-1-(tetrahydro-2H-pyran-4-ylcarbonyl)tetrahydro-1H-pyrrol-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-methyl-1-propanone

IUPAC name

1-{3-[(2S4S)-4-hydroxy-1-(oxane-4-carbonyl)pyrrolidin-2-yl]-5H6H7H8H-[124]triazolo[43-a]pyrazin-7-yl}-2-methylpropan-1-one

SMILES

CC(C)C(N1Cc2nnc([C@H](C[C@@H](C3)O)N3C(C3CCOCC3)=O)n2CC1)=O

InChI

InChI=1S/C19H29N5O4/c1-12(2)18(26)22-5-6-23-16(11-22)20-21-17(23)15-9-14(25)10-24(15)19(27)13-3-7-28-8-4-13/h12-15,25H,3-11H2,1-2H3/t14-,15+/m1/s1

InChI Key

PTVQSOJJAHWHDM-CABCVRRESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.263

Distribution Coefficient, logD

-0.263

Water Solubility, LogSw

-0.08

Polar Surface Area

82.057

Acid Dissociation Constant (pKa)

17.13

Base Dissociation Constant (pKb)

0.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

78.95

S904-1288 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Nucleoside Mimetics Library (2197 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S904-1288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S904-1288?
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What is the minimum amount of S904-1288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S904-1288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S904-1288
  • 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 S904-1288 available by request