8005-7313 Screening compound: 4-chloro-2-[(E)-{[4-hydroxy-3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]-6-nitrophenol

8005-7313 Screening compound: 4-chloro-2-[(E)-{[4-hydroxy-3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]-6-nitrophenol
8005-7313 Screening compound: 4-chloro-2-[(E)-{[4-hydroxy-3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]-6-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7313
4-chloro-2-[(E)-{[4-hydroxy-3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]-6-nitrophenol

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

8005-7313

Molecular Formula

C21H14ClN3O5 (C21 H14 ClN3 O5)

Compound Name

4-chloro-2-[(E)-{[4-hydroxy-3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]-6-nitrophenol

IUPAC name

4-chloro-2-[(E)-{[4-hydroxy-3-(4-methyl-13-benzoxazol-2-yl)phenyl]imino}methyl]-6-nitrophenol

SMILES

Cc1cccc2c1nc(-c(cc(cc1)/N=C/c3cc(Cl)cc([N+]([O-])=O)c3O)c1O)o2

InChI

InChI=1S/C21H14ClN3O5/c1-11-3-2-4-18-19(11)24-21(30-18)15-9-14(5-6-17(15)26)23-10-12-7-13(22)8-16(20(12)27)25(28)29/h2-10,26-27H,1H3

InChI Key

PKWJZJUINOAMAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00821891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.81

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.076

Distribution Coefficient, logD

3.853

Water Solubility, LogSw

-5.85

Polar Surface Area

91.054

Acid Dissociation Constant (pKa)

5.18

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with 8005-7313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7313?
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What is the minimum amount of 8005-7313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7313
  • 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 8005-7313 available by request