S904-1587 Screening compound: 5-{7-[(1,5-DIMETHYL-1H-PYRAZOL-4-YL)METHYL]-5H,6H,7H,8H-[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-3-YL}-1-(PROPAN-2-YL)PYRROLIDIN-3-OL

S904-1587 Screening compound: 5-{7-[(1,5-DIMETHYL-1H-PYRAZOL-4-YL)METHYL]-5H,6H,7H,8H-[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-3-YL}-1-(PROPAN-2-YL)PYRROLIDIN-3-OL
S904-1587 Screening compound: 5-{7-[(1,5-DIMETHYL-1H-PYRAZOL-4-YL)METHYL]-5H,6H,7H,8H-[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-3-YL}-1-(PROPAN-2-YL)PYRROLIDIN-3-OL alternative view

Chemical Structure Depiction of ChemDiv screening compound S904-1587
5-{7-[(1,5-DIMETHYL-1H-PYRAZOL-4-YL)METHYL]-5H,6H,7H,8H-[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-3-YL}-1-(PROPAN-2-YL)PYRROLIDIN-3-OL

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

S904-1587

Molecular Formula

C18H29N7O (C18 H29 N7 O)

Compound Name

5-{7-[(1,5-DIMETHYL-1H-PYRAZOL-4-YL)METHYL]-5H,6H,7H,8H-[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-3-YL}-1-(PROPAN-2-YL)PYRROLIDIN-3-OL

IUPAC name

(3S5S)-5-{7-[(15-dimethyl-1H-pyrazol-4-yl)methyl]-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]1c1nnc2n1CCN(Cc1c(C)n(C)nc1)C2

InChI

InChI=1S/C18H29N7O/c1-12(2)25-10-15(26)7-16(25)18-21-20-17-11-23(5-6-24(17)18)9-14-8-19-22(4)13(14)3/h8,12,15-16,26H,5-7,9-11H2,1-4H3/t15-,16+/m0/s1

InChI Key

WBBHMOIBKPKJGY-JKSUJKDBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.288

Distribution Coefficient, logD

-1.408

Water Solubility, LogSw

0.14

Polar Surface Area

62.664

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

8.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

72.20

S904-1587 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S904-1587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S904-1587?
Check Price and Availability of S904-1587, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S904-1587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S904-1587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S904-1587
  • 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 S904-1587 available by request