0960-0287 Screening compound: 2-(1,3-benzoxazol-2-yl)-4-[(E)-({2-hydroxy-5-[(1E)-2-[3-(trifluoromethyl)phenyl]diazen-1-yl]phenyl}methylidene)amino]phenol

0960-0287 Screening compound: 2-(1,3-benzoxazol-2-yl)-4-[(E)-({2-hydroxy-5-[(1E)-2-[3-(trifluoromethyl)phenyl]diazen-1-yl]phenyl}methylidene)amino]phenol
0960-0287 Screening compound: 2-(1,3-benzoxazol-2-yl)-4-[(E)-({2-hydroxy-5-[(1E)-2-[3-(trifluoromethyl)phenyl]diazen-1-yl]phenyl}methylidene)amino]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0960-0287
2-(1,3-benzoxazol-2-yl)-4-[(E)-({2-hydroxy-5-[(1E)-2-[3-(trifluoromethyl)phenyl]diazen-1-yl]phenyl}methylidene)amino]phenol

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

0960-0287

Molecular Formula

C27H17F3N4O3 (C27 H17 F3 N4 O3)

Compound Name

2-(1,3-benzoxazol-2-yl)-4-[(E)-({2-hydroxy-5-[(1E)-2-[3-(trifluoromethyl)phenyl]diazen-1-yl]phenyl}methylidene)amino]phenol

IUPAC name

2-(13-benzoxazol-2-yl)-4-[(E)-({2-hydroxy-5-[(1E)-2-[3-(trifluoromethyl)phenyl]diazen-1-yl]phenyl}methylidene)amino]phenol

SMILES

Oc(cc1)c(/C=N/c(cc2)cc(-c3nc(cccc4)c4o3)c2O)cc1/N=N/c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C27H17F3N4O3/c28-27(29,30)17-4-3-5-19(13-17)33-34-20-9-10-23(35)16(12-20)15-31-18-8-11-24(36)21(14-18)26-32-22-6-1-2-7-25(22)37-26/h1-15,35-36H

InChI Key

ZGGDTUPSQGPFST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00657247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.813

Distribution Coefficient, logD

7.780

Water Solubility, LogSw

-6.23

Polar Surface Area

79.960

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.70

References: we are preparing a list of scientific research reports with 0960-0287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0960-0287?
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What is the minimum amount of 0960-0287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0960-0287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0960-0287
  • 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 0960-0287 available by request