V004-4931 Screening compound: 2-(1,3-benzoxazol-2-yl)-4-nitrophenyl 2-(trifluoromethoxy)benzene-1-sulfonate

V004-4931 Screening compound: 2-(1,3-benzoxazol-2-yl)-4-nitrophenyl 2-(trifluoromethoxy)benzene-1-sulfonate
V004-4931 Screening compound: 2-(1,3-benzoxazol-2-yl)-4-nitrophenyl 2-(trifluoromethoxy)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-4931
2-(1,3-benzoxazol-2-yl)-4-nitrophenyl 2-(trifluoromethoxy)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

V004-4931

Molecular Formula

C20H11F3N2O7S (C20 H11 F3 N2 O7 S)

Compound Name

2-(1,3-benzoxazol-2-yl)-4-nitrophenyl 2-(trifluoromethoxy)benzene-1-sulfonate

IUPAC name

2-(13-benzoxazol-2-yl)-4-nitrophenyl 2-(trifluoromethoxy)benzene-1-sulfonate

SMILES

[O-][N+](c(cc1)cc(-c2nc(cccc3)c3o2)c1OS(c(cccc1)c1OC(F)(F)F)(=O)=O)=O

InChI

InChI=1S/C20H11F3N2O7S/c21-20(22,23)31-17-7-3-4-8-18(17)33(28,29)32-15-10-9-12(25(26)27)11-13(15)19-24-14-5-1-2-6-16(14)30-19/h1-11H

InChI Key

ARJPINQFSDYKAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19790887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.38

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.406

Distribution Coefficient, logD

5.406

Water Solubility, LogSw

-5.92

Polar Surface Area

92.302

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

V004-4931 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V004-4931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-4931?
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What is the minimum amount of V004-4931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-4931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-4931
  • 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 V004-4931 available by request