S616-8385 Screening compound: (1-methyl-1H-pyrazol-3-yl)[(1S,6R)-8-(3-pyridylmethyl)-3,8-diazabicyclo[4.2.0]oct-3-yl]methanone

S616-8385 Screening compound: (1-methyl-1H-pyrazol-3-yl)[(1S,6R)-8-(3-pyridylmethyl)-3,8-diazabicyclo[4.2.0]oct-3-yl]methanone
S616-8385 Screening compound: (1-methyl-1H-pyrazol-3-yl)[(1S,6R)-8-(3-pyridylmethyl)-3,8-diazabicyclo[4.2.0]oct-3-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S616-8385
(1-methyl-1H-pyrazol-3-yl)[(1S,6R)-8-(3-pyridylmethyl)-3,8-diazabicyclo[4.2.0]oct-3-yl]methanone

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

S616-8385

Molecular Formula

C17H21N5O (C17 H21 N5 O)

Compound Name

(1-methyl-1H-pyrazol-3-yl)[(1S,6R)-8-(3-pyridylmethyl)-3,8-diazabicyclo[4.2.0]oct-3-yl]methanone

IUPAC name

(1S6R)-3-(1-methyl-1H-pyrazole-3-carbonyl)-8-[(pyridin-3-yl)methyl]-38-diazabicyclo[4.2.0]octane

SMILES

Cn(cc1)nc1C(N1C[C@@H]2N(Cc3cnccc3)C[C@@H]2CC1)=O

InChI

InChI=1S/C17H21N5O/c1-20-7-5-15(19-20)17(23)21-8-4-14-11-22(16(14)12-21)10-13-3-2-6-18-9-13/h2-3,5-7,9,14,16H,4,8,10-12H2,1H3/t14-,16-/m0/s1

InChI Key

TYIJVELWXGNNDI-HOCLYGCPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.003

Distribution Coefficient, logD

-1.188

Water Solubility, LogSw

-0.33

Polar Surface Area

44.211

Acid Dissociation Constant (pKa)

26.03

Base Dissociation Constant (pKb)

8.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.06

References: we are preparing a list of scientific research reports with S616-8385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S616-8385?
Check Price and Availability of S616-8385, 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 S616-8385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S616-8385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S616-8385
  • 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 S616-8385 available by request