S904-1427 Screening compound: [3-[(2S,4S)-4-hydroxy-1-isopropyltetrahydro-1H-pyrrol-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl](5-methyl-2-thienyl)methanone

S904-1427 Screening compound: [3-[(2S,4S)-4-hydroxy-1-isopropyltetrahydro-1H-pyrrol-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl](5-methyl-2-thienyl)methanone
S904-1427 Screening compound: [3-[(2S,4S)-4-hydroxy-1-isopropyltetrahydro-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 S904-1427
[3-[(2S,4S)-4-hydroxy-1-isopropyltetrahydro-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

S904-1427

Molecular Formula

C18H25N5O2S (C18 H25 N5 O2 S)

Compound Name

[3-[(2S,4S)-4-hydroxy-1-isopropyltetrahydro-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)-5-[7-(5-methylthiophene-2-carbonyl)-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]1c1nnc(C2)n1CCN2C(c1ccc(C)s1)=O

InChI

InChI=1S/C18H25N5O2S/c1-11(2)23-9-13(24)8-14(23)17-20-19-16-10-21(6-7-22(16)17)18(25)15-5-4-12(3)26-15/h4-5,11,13-14,24H,6-10H2,1-3H3/t13-,14+/m1/s1

InChI Key

NIUOMQIHUJHNCT-KGLIPLIRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.471

Distribution Coefficient, logD

1.334

Water Solubility, LogSw

-2.14

Polar Surface Area

62.111

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

6.97

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.11

S904-1427 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 S904-1427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S904-1427?
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What is the minimum amount of S904-1427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S904-1427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S904-1427
  • 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 S904-1427 available by request