8001-5469 Screening compound: 2-(1,3-benzoxazol-2-yl)-5-[(E)-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]amino]phenol

8001-5469 Screening compound: 2-(1,3-benzoxazol-2-yl)-5-[(E)-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]amino]phenol
8001-5469 Screening compound: 2-(1,3-benzoxazol-2-yl)-5-[(E)-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]amino]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-5469
2-(1,3-benzoxazol-2-yl)-5-[(E)-[(5-bromo-3-chloro-2-hydroxyphenyl)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

8001-5469

Molecular Formula

C20H12BrClN2O3 (C20 H12 BrClN2 O3)

Compound Name

2-(1,3-benzoxazol-2-yl)-5-[(E)-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]amino]phenol

IUPAC name

2-(13-benzoxazol-2-yl)-5-[(E)-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]amino]phenol

SMILES

Oc(cc(cc1)/N=C/c2cc(Br)cc(Cl)c2O)c1-c1nc(cccc2)c2o1

InChI

InChI=1S/C20H12BrClN2O3/c21-12-7-11(19(26)15(22)8-12)10-23-13-5-6-14(17(25)9-13)20-24-16-3-1-2-4-18(16)27-20/h1-10,25-26H

InChI Key

UNKUQRZSKPRJFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00731921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.68

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.525

Distribution Coefficient, logD

5.981

Water Solubility, LogSw

-6.10

Polar Surface Area

57.203

Acid Dissociation Constant (pKa)

7.00

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8001-5469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-5469?
Check Price and Availability of 8001-5469, 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 8001-5469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-5469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-5469
  • 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 8001-5469 available by request