S904-1291 Screening compound: 1-{3-[4-hydroxy-1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-yl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl}-2-methylpropan-1-one

S904-1291 Screening compound: 1-{3-[4-hydroxy-1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-yl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl}-2-methylpropan-1-one
S904-1291 Screening compound: 1-{3-[4-hydroxy-1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-yl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl}-2-methylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S904-1291
1-{3-[4-hydroxy-1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-yl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl}-2-methylpropan-1-one

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

S904-1291

Molecular Formula

C20H26N6O4 (C20 H26 N6 O4)

Compound Name

1-{3-[4-hydroxy-1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-yl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl}-2-methylpropan-1-one

IUPAC name

1-{3-[(2S4S)-4-hydroxy-1-(6-methoxypyridine-3-carbonyl)pyrrolidin-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)cnc3OC)=O)n2CC1)=O

InChI

InChI=1S/C20H26N6O4/c1-12(2)19(28)24-6-7-25-16(11-24)22-23-18(25)15-8-14(27)10-26(15)20(29)13-4-5-17(30-3)21-9-13/h4-5,9,12,14-15,27H,6-8,10-11H2,1-3H3/t14-,15+/m1/s1

InChI Key

QJQCXYQPMHPNET-CABCVRRESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.092

Distribution Coefficient, logD

0.092

Water Solubility, LogSw

-1.36

Polar Surface Area

90.538

Acid Dissociation Constant (pKa)

17.13

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.00

S904-1291 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S904-1291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S904-1291?
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What is the minimum amount of S904-1291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S904-1291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S904-1291
  • 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 S904-1291 available by request