C608-0029 Screening compound: N-(3-fluorophenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

C608-0029 Screening compound: N-(3-fluorophenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
C608-0029 Screening compound: N-(3-fluorophenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C608-0029
N-(3-fluorophenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

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

C608-0029

Molecular Formula

C14H11FN2O4S (C14 H11 FN2 O4 S)

Compound Name

N-(3-fluorophenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

IUPAC name

n/a

SMILES

CN(c(ccc(S(Nc1cc(F)ccc1)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C14H11FN2O4S/c1-17-12-6-5-11(8-13(12)21-14(17)18)22(19,20)16-10-4-2-3-9(15)7-10/h2-8,16H,1H3

InChI Key

ILBQVXOEHJKWHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06629800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.324

Distribution Coefficient, logD

2.273

Water Solubility, LogSw

-3.05

Polar Surface Area

63.754

Acid Dissociation Constant (pKa)

8.30

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

C608-0029 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with C608-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C608-0029?
Check Price and Availability of C608-0029, 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 C608-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C608-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C608-0029
  • 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 C608-0029 available by request