S904-1863 Screening compound: 1-(3-{4-hydroxy-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl}-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpropan-1-one

S904-1863 Screening compound: 1-(3-{4-hydroxy-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl}-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpropan-1-one
S904-1863 Screening compound: 1-(3-{4-hydroxy-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]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 S904-1863
1-(3-{4-hydroxy-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]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

S904-1863

Molecular Formula

C23H29N7O2 (C23 H29 N7 O2)

Compound Name

1-(3-{4-hydroxy-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]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-[(3-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-5H6H7H8H-[124]triazolo[43-a]pyrazin-7-yl}-2-methylpropan-1-one

SMILES

CC(C)C(N1Cc2nnc([C@H](C3)N(Cc4c[nH]nc4-c4ccccc4)C[C@H]3O)n2CC1)=O

InChI

InChI=1S/C23H29N7O2/c1-15(2)23(32)28-8-9-30-20(14-28)25-27-22(30)19-10-18(31)13-29(19)12-17-11-24-26-21(17)16-6-4-3-5-7-16/h3-7,11,15,18-19,31H,8-10,12-14H2,1-2H3,(H,24,26)/t18-,19-/m0/s1

InChI Key

LSWMLIUXYDXXNN-OALUTQOASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.952

Distribution Coefficient, logD

0.814

Water Solubility, LogSw

-1.92

Polar Surface Area

85.397

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

6.97

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.83

S904-1863 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Natural-Product-Based Library (3730 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S904-1863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S904-1863?
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What is the minimum amount of S904-1863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S904-1863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S904-1863
  • 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 S904-1863 available by request