L799-3217 Screening compound: 6-({4-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]piperidin-1-yl}sulfonyl)-3-propyl-2,3-dihydro-1,3-benzoxazol-2-one

L799-3217 Screening compound: 6-({4-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]piperidin-1-yl}sulfonyl)-3-propyl-2,3-dihydro-1,3-benzoxazol-2-one
L799-3217 Screening compound: 6-({4-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]piperidin-1-yl}sulfonyl)-3-propyl-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L799-3217
6-({4-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]piperidin-1-yl}sulfonyl)-3-propyl-2,3-dihydro-1,3-benzoxazol-2-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

L799-3217

Molecular Formula

C26H31N3O5S (C26 H31 N3 O5 S)

Compound Name

6-({4-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]piperidin-1-yl}sulfonyl)-3-propyl-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

6-({4-[2-oxo-2-(1234-tetrahydroisoquinolin-2-yl)ethyl]piperidin-1-yl}sulfonyl)-3-propyl-23-dihydro-13-benzoxazol-2-one

SMILES

CCCN(c(ccc(S(N1CCC(CC(N(CC2)Cc3c2cccc3)=O)CC1)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C26H31N3O5S/c1-2-12-29-23-8-7-22(17-24(23)34-26(29)31)35(32,33)28-14-9-19(10-15-28)16-25(30)27-13-11-20-5-3-4-6-21(20)18-27/h3-8,17,19H,2,9-16,18H2,1H3

InChI Key

CXDBTHIWCUSZOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27475869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.084

Distribution Coefficient, logD

4.084

Water Solubility, LogSw

-4.21

Polar Surface Area

70.811

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

-2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

L799-3217 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L799-3217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L799-3217?
Check Price and Availability of L799-3217, 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 L799-3217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L799-3217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L799-3217
  • 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 L799-3217 available by request