V026-4695 Screening compound: 2-(1,3-benzoxazol-2-yl)-6-methylphenyl 3-(trifluoromethyl)benzene-1-sulfonate

V026-4695 Screening compound: 2-(1,3-benzoxazol-2-yl)-6-methylphenyl 3-(trifluoromethyl)benzene-1-sulfonate
V026-4695 Screening compound: 2-(1,3-benzoxazol-2-yl)-6-methylphenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-4695
2-(1,3-benzoxazol-2-yl)-6-methylphenyl 3-(trifluoromethyl)benzene-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

V026-4695

Molecular Formula

C21H14F3NO4S (C21 H14 F3 NO4 S)

Compound Name

2-(1,3-benzoxazol-2-yl)-6-methylphenyl 3-(trifluoromethyl)benzene-1-sulfonate

IUPAC name

2-(13-benzoxazol-2-yl)-6-methylphenyl 3-(trifluoromethyl)benzene-1-sulfonate

SMILES

Cc1cccc(-c2nc(cccc3)c3o2)c1OS(c1cc(C(F)(F)F)ccc1)(=O)=O

InChI

InChI=1S/C21H14F3NO4S/c1-13-6-4-9-16(20-25-17-10-2-3-11-18(17)28-20)19(13)29-30(26,27)15-8-5-7-14(12-15)21(22,23)24/h2-12H,1H3

InChI Key

SZSUXEISZSRZBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19791107

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

433.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.652

Distribution Coefficient, logD

5.652

Water Solubility, LogSw

-5.76

Polar Surface Area

52.983

Acid Dissociation Constant (pKa)

28.35

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

V026-4695 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 V026-4695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-4695?
Check Price and Availability of V026-4695, 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 V026-4695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-4695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-4695
  • 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 V026-4695 available by request