L799-3286 Screening compound: 2-{1-[(2-oxo-3-propyl-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl}-N-[(thiophen-2-yl)methyl]acetamide

L799-3286 Screening compound: 2-{1-[(2-oxo-3-propyl-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl}-N-[(thiophen-2-yl)methyl]acetamide
L799-3286 Screening compound: 2-{1-[(2-oxo-3-propyl-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl}-N-[(thiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L799-3286
2-{1-[(2-oxo-3-propyl-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl}-N-[(thiophen-2-yl)methyl]acetamide

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

L799-3286

Molecular Formula

C22H27N3O5S2 (C22 H27 N3 O5 S2)

Compound Name

2-{1-[(2-oxo-3-propyl-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl}-N-[(thiophen-2-yl)methyl]acetamide

IUPAC name

2-{1-[(2-oxo-3-propyl-23-dihydro-13-benzoxazol-6-yl)sulfonyl]piperidin-4-yl}-N-[(thiophen-2-yl)methyl]acetamide

SMILES

CCCN(c(ccc(S(N1CCC(CC(NCc2cccs2)=O)CC1)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C22H27N3O5S2/c1-2-9-25-19-6-5-18(14-20(19)30-22(25)27)32(28,29)24-10-7-16(8-11-24)13-21(26)23-15-17-4-3-12-31-17/h3-6,12,14,16H,2,7-11,13,15H2,1H3,(H,23,26)

InChI Key

LYJCAAUYQUXLAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27475882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.457

Distribution Coefficient, logD

3.457

Water Solubility, LogSw

-4.08

Polar Surface Area

80.246

Acid Dissociation Constant (pKa)

13.62

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

L799-3286 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 L799-3286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L799-3286?
Check Price and Availability of L799-3286, 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 L799-3286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L799-3286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L799-3286
  • 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 L799-3286 available by request