SA05-0861 Screening compound: 1-{7-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-8-carbonyl}pyrrolidine

SA05-0861 Screening compound: 1-{7-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-8-carbonyl}pyrrolidine
SA05-0861 Screening compound: 1-{7-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-8-carbonyl}pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA05-0861
1-{7-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-8-carbonyl}pyrrolidine

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

SA05-0861

Molecular Formula

C20H25N5O2 (C20 H25 N5 O2)

Compound Name

1-{7-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-8-carbonyl}pyrrolidine

IUPAC name

1-{7-[(23-dihydro-1-benzofuran-5-yl)methyl]-3-methyl-5H6H7H8H-[124]triazolo[43-a]pyrazine-8-carbonyl}pyrrolidine

SMILES

Cc1nnc2n1CCN(Cc(cc1)cc3c1OCC3)C2C(N1CCCC1)=O

InChI

InChI=1S/C20H25N5O2/c1-14-21-22-19-18(20(26)23-7-2-3-8-23)24(9-10-25(14)19)13-15-4-5-17-16(12-15)6-11-27-17/h4-5,12,18H,2-3,6-11,13H2,1H3/t18-/m1/s1

InChI Key

RTGKQUHKIKBOBD-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32233465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.176

Distribution Coefficient, logD

1.175

Water Solubility, LogSw

-2.01

Polar Surface Area

53.473

Acid Dissociation Constant (pKa)

19.60

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

SA05-0861 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

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

Therapeutical areas:
  • Nervous system
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 SA05-0861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA05-0861?
Check Price and Availability of SA05-0861, 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 SA05-0861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA05-0861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA05-0861
  • 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 SA05-0861 available by request