S788-0172 Screening compound: 1-[(pyridin-3-yl)methyl]-dodecahydro-1H-cyclopenta[b][1,5]diazecin-8-one

S788-0172 Screening compound: 1-[(pyridin-3-yl)methyl]-dodecahydro-1H-cyclopenta[b][1,5]diazecin-8-one
S788-0172 Screening compound: 1-[(pyridin-3-yl)methyl]-dodecahydro-1H-cyclopenta[b][1,5]diazecin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S788-0172
1-[(pyridin-3-yl)methyl]-dodecahydro-1H-cyclopenta[b][1,5]diazecin-8-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

S788-0172

Molecular Formula

C17H25N3O (C17 H25 N3 O)

Compound Name

1-[(pyridin-3-yl)methyl]-dodecahydro-1H-cyclopenta[b][1,5]diazecin-8-one

IUPAC name

(8aR11aS)-1-[(pyridin-3-yl)methyl]-dodecahydro-1H-cyclopenta[b][15]diazecin-8-one

SMILES

O=C1NCCCCCN(Cc2cnccc2)[C@@H]2[C@H]1CCC2

InChI

InChI=1S/C17H25N3O/c21-17-15-7-4-8-16(15)20(11-3-1-2-10-19-17)13-14-6-5-9-18-12-14/h5-6,9,12,15-16H,1-4,7-8,10-11,13H2,(H,19,21)/t15-,16+/m1/s1

InChI Key

XYRKTCAPCAZEJM-CVEARBPZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.974

Distribution Coefficient, logD

0.657

Water Solubility, LogSw

-1.71

Polar Surface Area

38.642

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

7.43

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

64.71

S788-0172 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Macrocycles Library (2450 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
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S788-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S788-0172?
Check Price and Availability of S788-0172, 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 S788-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S788-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S788-0172
  • 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 S788-0172 available by request