8008-5497 Screening compound: octahydro-2H-quinolizin-1-ylmethyl 2,4-difluorobenzoate

8008-5497 Screening compound: octahydro-2H-quinolizin-1-ylmethyl 2,4-difluorobenzoate
8008-5497 Screening compound: octahydro-2H-quinolizin-1-ylmethyl 2,4-difluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5497
octahydro-2H-quinolizin-1-ylmethyl 2,4-difluorobenzoate

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

8008-5497

Molecular Formula

C17H21F2NO2 (C17 H21 F2 NO2)

Compound Name

octahydro-2H-quinolizin-1-ylmethyl 2,4-difluorobenzoate

IUPAC name

(octahydro-1H-quinolizin-1-yl)methyl 24-difluorobenzoate

SMILES

O=C(c(ccc(F)c1)c1F)OCC1C(CCCC2)N2CCC1

InChI

InChI=1S/C17H21F2NO2/c18-13-6-7-14(15(19)10-13)17(21)22-11-12-4-3-9-20-8-2-1-5-16(12)20/h6-7,10,12,16H,1-5,8-9,11H2

InChI Key

UQVPRKDTEWEKHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01305309

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

309.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.143

Distribution Coefficient, logD

0.129

Water Solubility, LogSw

-3.25

Polar Surface Area

24.446

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

10.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.82

8008-5497 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8008-5497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5497?
Check Price and Availability of 8008-5497, 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 8008-5497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5497
  • 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 8008-5497 available by request