8005-7081 Screening compound: 4-chloro-2-[(E)-{[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol

8005-7081 Screening compound: 4-chloro-2-[(E)-{[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol
8005-7081 Screening compound: 4-chloro-2-[(E)-{[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7081
4-chloro-2-[(E)-{[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]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

8005-7081

Molecular Formula

C20H11Cl2FN2O2 (C20 H11 Cl2 FN2 O2)

Compound Name

4-chloro-2-[(E)-{[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol

IUPAC name

4-chloro-2-[(E)-{[2-(2-chloro-4-fluorophenyl)-13-benzoxazol-5-yl]imino}methyl]phenol

SMILES

Oc(cc1)c(/C=N/c(cc2)cc3c2oc(-c(ccc(F)c2)c2Cl)n3)cc1Cl

InChI

InChI=1S/C20H11Cl2FN2O2/c21-12-1-5-18(26)11(7-12)10-24-14-3-6-19-17(9-14)25-20(27-19)15-4-2-13(23)8-16(15)22/h1-10,26H

InChI Key

KKCUNGAOSRPGFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00821689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.22

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.972

Distribution Coefficient, logD

5.902

Water Solubility, LogSw

-6.05

Polar Surface Area

41.724

Acid Dissociation Constant (pKa)

8.16

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8005-7081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7081?
Check Price and Availability of 8005-7081, 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 8005-7081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7081
  • 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 8005-7081 available by request