S904-1343 Screening compound: 1-[3-[(2S,4S)-1-(2-furylcarbonyl)-4-hydroxytetrahydro-1H-pyrrol-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-methyl-1-propanone

S904-1343 Screening compound: 1-[3-[(2S,4S)-1-(2-furylcarbonyl)-4-hydroxytetrahydro-1H-pyrrol-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-methyl-1-propanone
S904-1343 Screening compound: 1-[3-[(2S,4S)-1-(2-furylcarbonyl)-4-hydroxytetrahydro-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 S904-1343
1-[3-[(2S,4S)-1-(2-furylcarbonyl)-4-hydroxytetrahydro-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

S904-1343

Molecular Formula

C18H23N5O4 (C18 H23 N5 O4)

Compound Name

1-[3-[(2S,4S)-1-(2-furylcarbonyl)-4-hydroxytetrahydro-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)-1-(furan-2-carbonyl)-4-hydroxypyrrolidin-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(c3ccco3)=O)n2CC1)=O

InChI

InChI=1S/C18H23N5O4/c1-11(2)17(25)21-5-6-22-15(10-21)19-20-16(22)13-8-12(24)9-23(13)18(26)14-4-3-7-27-14/h3-4,7,11-13,24H,5-6,8-10H2,1-2H3/t12-,13+/m1/s1

InChI Key

CWNAUXGMDJJBRK-OLZOCXBDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.41

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

-0.160

Distribution Coefficient, logD

-0.160

Water Solubility, LogSw

-1.09

Polar Surface Area

82.535

Acid Dissociation Constant (pKa)

17.13

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.56

S904-1343 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 S904-1343 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S904-1343?
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What is the minimum amount of S904-1343 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S904-1343
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S904-1343
  • 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 S904-1343 available by request