S904-0104 Screening compound: (3S,5S)-1-isopropyl-5-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)tetrahydro-1H-pyrrol-3-ol

S904-0104 Screening compound: (3S,5S)-1-isopropyl-5-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)tetrahydro-1H-pyrrol-3-ol
S904-0104 Screening compound: (3S,5S)-1-isopropyl-5-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)tetrahydro-1H-pyrrol-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S904-0104
(3S,5S)-1-isopropyl-5-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)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

S904-0104

Molecular Formula

C13H23N5O (C13 H23 N5 O)

Compound Name

(3S,5S)-1-isopropyl-5-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)tetrahydro-1H-pyrrol-3-ol

IUPAC name

(3S5S)-5-{7-methyl-5H6H7H8H-[124]triazolo[43-a]pyrazin-3-yl}-1-(propan-2-yl)pyrrolidin-3-ol

SMILES

CC(C)N(C[C@H](C1)O)[C@@H]1c1nnc2n1CCN(C)C2

InChI

InChI=1S/C13H23N5O/c1-9(2)18-7-10(19)6-11(18)13-15-14-12-8-16(3)4-5-17(12)13/h9-11,19H,4-8H2,1-3H3/t10-,11+/m0/s1

InChI Key

QLNCYVWUEYYSCZ-WDEREUQCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.366

Distribution Coefficient, logD

-0.532

Water Solubility, LogSw

0.24

Polar Surface Area

48.113

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

7.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

84.61

S904-0104 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with S904-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S904-0104?
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What is the minimum amount of S904-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S904-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S904-0104
  • 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 S904-0104 available by request