S904-5322 Screening compound: [3-[(2S,4S)-1-benzyl-4-hydroxytetrahydro-1H-pyrrol-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl](5-methyl-2-thienyl)methanone

S904-5322 Screening compound: [3-[(2S,4S)-1-benzyl-4-hydroxytetrahydro-1H-pyrrol-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl](5-methyl-2-thienyl)methanone
S904-5322 Screening compound: [3-[(2S,4S)-1-benzyl-4-hydroxytetrahydro-1H-pyrrol-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl](5-methyl-2-thienyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S904-5322
[3-[(2S,4S)-1-benzyl-4-hydroxytetrahydro-1H-pyrrol-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl](5-methyl-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

S904-5322

Molecular Formula

C22H25N5O2S (C22 H25 N5 O2 S)

Compound Name

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

IUPAC name

(3S5S)-1-benzyl-5-[7-(5-methylthiophene-2-carbonyl)-5H6H7H8H-[124]triazolo[43-a]pyrazin-3-yl]pyrrolidin-3-ol

SMILES

Cc1ccc(C(N2Cc3nnc([C@H](C4)N(Cc5ccccc5)C[C@H]4O)n3CC2)=O)s1

InChI

InChI=1S/C22H25N5O2S/c1-15-7-8-19(30-15)22(29)25-9-10-27-20(14-25)23-24-21(27)18-11-17(28)13-26(18)12-16-5-3-2-4-6-16/h2-8,17-18,28H,9-14H2,1H3/t17-,18+/m1/s1

InChI Key

HBVNFRPVKIQSBI-MSOLQXFVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.056

Distribution Coefficient, logD

2.051

Water Solubility, LogSw

-2.35

Polar Surface Area

61.953

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.91

References: we are preparing a list of scientific research reports with S904-5322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S904-5322?
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What is the minimum amount of S904-5322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S904-5322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S904-5322
  • 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 S904-5322 available by request