S904-0926 Screening compound: [(2S,4S)-4-hydroxy-2-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)tetrahydro-1H-pyrrol-1-yl](2-thienyl)methanone

S904-0926 Screening compound: [(2S,4S)-4-hydroxy-2-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)tetrahydro-1H-pyrrol-1-yl](2-thienyl)methanone
S904-0926 Screening compound: [(2S,4S)-4-hydroxy-2-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)tetrahydro-1H-pyrrol-1-yl](2-thienyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S904-0926
[(2S,4S)-4-hydroxy-2-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)tetrahydro-1H-pyrrol-1-yl](2-thienyl)methanone

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

S904-0926

Molecular Formula

C15H19N5O2S (C15 H19 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CN1Cc2nnc([C@H](C[C@@H](C3)O)N3C(c3cccs3)=O)n2CC1

InChI

InChI=1S/C15H19N5O2S/c1-18-4-5-19-13(9-18)16-17-14(19)11-7-10(21)8-20(11)15(22)12-3-2-6-23-12/h2-3,6,10-11,21H,4-5,7-9H2,1H3/t10-,11+/m1/s1

InChI Key

KOALPLCFNFIUNO-MNOVXSKESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.168

Distribution Coefficient, logD

-0.176

Water Solubility, LogSw

-1.76

Polar Surface Area

61.724

Acid Dissociation Constant (pKa)

17.13

Base Dissociation Constant (pKb)

5.66

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.33

S904-0926 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S904-0926 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of S904-0926 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S904-0926
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S904-0926
  • 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 S904-0926 available by request