0469-0703 Screening compound: 6-chloro-3-(4-methylbenzenesulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one

0469-0703 Screening compound: 6-chloro-3-(4-methylbenzenesulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one
0469-0703 Screening compound: 6-chloro-3-(4-methylbenzenesulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0469-0703
6-chloro-3-(4-methylbenzenesulfonyl)-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

0469-0703

Molecular Formula

C14H10ClNO4S (C14 H10 ClNO4 S)

Compound Name

6-chloro-3-(4-methylbenzenesulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

6-chloro-3-(4-methylbenzenesulfonyl)-23-dihydro-13-benzoxazol-2-one

SMILES

Cc(cc1)ccc1S(N(c(ccc(Cl)c1)c1O1)C1=O)(=O)=O

InChI

InChI=1S/C14H10ClNO4S/c1-9-2-5-11(6-3-9)21(18,19)16-12-7-4-10(15)8-13(12)20-14(16)17/h2-8H,1H3

InChI Key

KEMHGMJWDGMRJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00416661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.76

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.692

Distribution Coefficient, logD

3.692

Water Solubility, LogSw

-4.27

Polar Surface Area

52.268

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-15.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

0469-0703 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0469-0703 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0469-0703?
Check Price and Availability of 0469-0703, 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 0469-0703 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0469-0703
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0469-0703
  • 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 0469-0703 available by request