8013-6314 Screening compound: (octahydro-1H-quinolizin-1-yl)methyl N-[(4-chlorophenoxy)sulfonyl]carbamate

8013-6314 Screening compound: (octahydro-1H-quinolizin-1-yl)methyl N-[(4-chlorophenoxy)sulfonyl]carbamate
8013-6314 Screening compound: (octahydro-1H-quinolizin-1-yl)methyl N-[(4-chlorophenoxy)sulfonyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6314
(octahydro-1H-quinolizin-1-yl)methyl N-[(4-chlorophenoxy)sulfonyl]carbamate

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

8013-6314

Molecular Formula

C17H23ClN2O5S (C17 H23 ClN2 O5 S)

Compound Name

(octahydro-1H-quinolizin-1-yl)methyl N-[(4-chlorophenoxy)sulfonyl]carbamate

IUPAC name

[(1R9aR)-octahydro-1H-quinolizin-1-yl]methyl N-[(4-chlorophenoxy)sulfonyl]carbamate

SMILES

O=C(NS(Oc(cc1)ccc1Cl)(=O)=O)OC[C@@H]1[C@H](CCCC2)N2CCC1

InChI

InChI=1S/C17H23ClN2O5S/c18-14-6-8-15(9-7-14)25-26(22,23)19-17(21)24-12-13-4-3-11-20-10-2-1-5-16(13)20/h6-9,13,16H,1-5,10-12H2,(H,19,21)/t13-,16+/m1/s1

InChI Key

MZLRSFBNYSKEPU-CJNGLKHVSA-N

MDL Number (MFCD)

MFCD03767155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.622

Distribution Coefficient, logD

2.622

Water Solubility, LogSw

-3.39

Polar Surface Area

73.183

Acid Dissociation Constant (pKa)

2.72

Base Dissociation Constant (pKb)

10.38

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.80

8013-6314 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-6314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6314?
Check Price and Availability of 8013-6314, 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 8013-6314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6314
  • 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 8013-6314 available by request