S616-4436 Screening compound: (5-FLUORO-2-PYRIDYL)[(1S,6R)-8-(3-PYRIDYLMETHYL)-3,8-DIAZABICYCLO[4.2.0]OCT-3-YL]METHANONE

S616-4436 Screening compound: (5-FLUORO-2-PYRIDYL)[(1S,6R)-8-(3-PYRIDYLMETHYL)-3,8-DIAZABICYCLO[4.2.0]OCT-3-YL]METHANONE
S616-4436 Screening compound: (5-FLUORO-2-PYRIDYL)[(1S,6R)-8-(3-PYRIDYLMETHYL)-3,8-DIAZABICYCLO[4.2.0]OCT-3-YL]METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S616-4436
(5-FLUORO-2-PYRIDYL)[(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

S616-4436

Molecular Formula

C18H19FN4O (C18 H19 FN4 O)

Compound Name

(5-FLUORO-2-PYRIDYL)[(1S,6R)-8-(3-PYRIDYLMETHYL)-3,8-DIAZABICYCLO[4.2.0]OCT-3-YL]METHANONE

IUPAC name

(1S6R)-3-(5-fluoropyridine-2-carbonyl)-8-[(pyridin-3-yl)methyl]-38-diazabicyclo[4.2.0]octane

SMILES

O=C(c(cc1)ncc1F)N1C[C@@H]2N(Cc3cnccc3)C[C@@H]2CC1

InChI

InChI=1S/C18H19FN4O/c19-15-3-4-16(21-9-15)18(24)22-7-5-14-11-23(17(14)12-22)10-13-2-1-6-20-8-13/h1-4,6,8-9,14,17H,5,7,10-12H2/t14-,17-/m0/s1

InChI Key

SQJDEHRLHKQAEP-YOEHRIQHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.151

Distribution Coefficient, logD

-0.040

Water Solubility, LogSw

-0.94

Polar Surface Area

38.656

Acid Dissociation Constant (pKa)

26.03

Base Dissociation Constant (pKb)

8.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.89

S616-4436 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S616-4436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S616-4436?
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What is the minimum amount of S616-4436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S616-4436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S616-4436
  • 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 S616-4436 available by request