V006-9563 Screening compound: 2-(1,3-benzoxazol-2-yl)-5-chlorophenyl ethane-1-sulfonate

V006-9563 Screening compound: 2-(1,3-benzoxazol-2-yl)-5-chlorophenyl ethane-1-sulfonate
V006-9563 Screening compound: 2-(1,3-benzoxazol-2-yl)-5-chlorophenyl ethane-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-9563
2-(1,3-benzoxazol-2-yl)-5-chlorophenyl ethane-1-sulfonate

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

V006-9563

Molecular Formula

C15H12ClNO4S (C15 H12 ClNO4 S)

Compound Name

2-(1,3-benzoxazol-2-yl)-5-chlorophenyl ethane-1-sulfonate

IUPAC name

2-(13-benzoxazol-2-yl)-5-chlorophenyl ethane-1-sulfonate

SMILES

CCS(Oc(cc(cc1)Cl)c1-c1nc(cccc2)c2o1)(=O)=O

InChI

InChI=1S/C15H12ClNO4S/c1-2-22(18,19)21-14-9-10(16)7-8-11(14)15-17-12-5-3-4-6-13(12)20-15/h3-9H,2H2,1H3

InChI Key

WXIGUIYKQSVCBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10451814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.78

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.152

Distribution Coefficient, logD

4.152

Water Solubility, LogSw

-4.47

Polar Surface Area

52.244

Acid Dissociation Constant (pKa)

21.62

Base Dissociation Constant (pKb)

-2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

V006-9563 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V006-9563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-9563?
Check Price and Availability of V006-9563, 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 V006-9563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-9563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-9563
  • 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 V006-9563 available by request