L799-0845 Screening compound: N-(4-fluorophenyl)-2-{1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl}acetamide

L799-0845 Screening compound: N-(4-fluorophenyl)-2-{1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl}acetamide
L799-0845 Screening compound: N-(4-fluorophenyl)-2-{1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L799-0845
N-(4-fluorophenyl)-2-{1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl}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

L799-0845

Molecular Formula

C21H22FN3O5S (C21 H22 FN3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CN(c(ccc(S(N1CCC(CC(Nc(cc2)ccc2F)=O)CC1)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C21H22FN3O5S/c1-24-18-7-6-17(13-19(18)30-21(24)27)31(28,29)25-10-8-14(9-11-25)12-20(26)23-16-4-2-15(22)3-5-16/h2-7,13-14H,8-12H2,1H3,(H,23,26)

InChI Key

QOYIYIIPFPXCKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27475662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.904

Distribution Coefficient, logD

2.904

Water Solubility, LogSw

-3.75

Polar Surface Area

77.693

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L799-0845 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with L799-0845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L799-0845?
Check Price and Availability of L799-0845, 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 L799-0845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L799-0845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L799-0845
  • 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 L799-0845 available by request