V029-9733 Screening compound: 2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-4-methylphenyl 3-(trifluoromethyl)benzene-1-sulfonate

V029-9733 Screening compound: 2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-4-methylphenyl 3-(trifluoromethyl)benzene-1-sulfonate
V029-9733 Screening compound: 2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-4-methylphenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-9733
2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-4-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

V029-9733

Molecular Formula

C23H18F3NO6S2 (C23 H18 F3 NO6 S2)

Compound Name

2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-4-methylphenyl 3-(trifluoromethyl)benzene-1-sulfonate

IUPAC name

2-[5-(ethanesulfonyl)-13-benzoxazol-2-yl]-4-methylphenyl 3-(trifluoromethyl)benzene-1-sulfonate

SMILES

CCS(c(cc1)cc2c1oc(-c(cc(C)cc1)c1OS(c1cc(C(F)(F)F)ccc1)(=O)=O)n2)(=O)=O

InChI

InChI=1S/C23H18F3NO6S2/c1-3-34(28,29)16-8-10-21-19(13-16)27-22(32-21)18-11-14(2)7-9-20(18)33-35(30,31)17-6-4-5-15(12-17)23(24,25)26/h4-13H,3H2,1-2H3

InChI Key

RULWTMLSSWRFMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499685

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

525.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.621

Distribution Coefficient, logD

4.621

Water Solubility, LogSw

-4.56

Polar Surface Area

81.933

Acid Dissociation Constant (pKa)

21.23

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

V029-9733 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V029-9733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-9733?
Check Price and Availability of V029-9733, 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 V029-9733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-9733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-9733
  • 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 V029-9733 available by request