S904-1268 Screening compound: 1-[3-[(2S,4S)-1-(3-fluoro-4-methoxybenzoyl)-4-hydroxytetrahydro-1H-pyrrol-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-methyl-1-propanone

S904-1268 Screening compound: 1-[3-[(2S,4S)-1-(3-fluoro-4-methoxybenzoyl)-4-hydroxytetrahydro-1H-pyrrol-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-methyl-1-propanone
S904-1268 Screening compound: 1-[3-[(2S,4S)-1-(3-fluoro-4-methoxybenzoyl)-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 S904-1268
1-[3-[(2S,4S)-1-(3-fluoro-4-methoxybenzoyl)-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

S904-1268

Molecular Formula

C21H26FN5O4 (C21 H26 FN5 O4)

Compound Name

1-[3-[(2S,4S)-1-(3-fluoro-4-methoxybenzoyl)-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-(3-fluoro-4-methoxybenzoyl)-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(c(cc3)cc(F)c3OC)=O)n2CC1)=O

InChI

InChI=1S/C21H26FN5O4/c1-12(2)20(29)25-6-7-26-18(11-25)23-24-19(26)16-9-14(28)10-27(16)21(30)13-4-5-17(31-3)15(22)8-13/h4-5,8,12,14,16,28H,6-7,9-11H2,1-3H3/t14-,16+/m1/s1

InChI Key

HOPFLJIOCKKWDP-ZBFHGGJFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.656

Distribution Coefficient, logD

0.656

Water Solubility, LogSw

-1.81

Polar Surface Area

81.587

Acid Dissociation Constant (pKa)

17.13

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.38

S904-1268 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with S904-1268 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of S904-1268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S904-1268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S904-1268
  • 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 S904-1268 available by request