0781-2992 Screening compound: 4-[(E)-{[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenyl 2-chlorobenzoate

0781-2992 Screening compound: 4-[(E)-{[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenyl 2-chlorobenzoate
0781-2992 Screening compound: 4-[(E)-{[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenyl 2-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0781-2992
4-[(E)-{[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenyl 2-chlorobenzoate

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

0781-2992

Molecular Formula

C27H15Cl3N2O3 (C27 H15 Cl3 N2 O3)

Compound Name

4-[(E)-{[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenyl 2-chlorobenzoate

IUPAC name

4-[(E)-{[2-(24-dichlorophenyl)-13-benzoxazol-5-yl]imino}methyl]phenyl 2-chlorobenzoate

SMILES

O=C(c(cccc1)c1Cl)Oc1ccc(/C=N/c(cc2)cc3c2oc(-c(ccc(Cl)c2)c2Cl)n3)cc1

InChI

InChI=1S/C27H15Cl3N2O3/c28-17-7-11-20(23(30)13-17)26-32-24-14-18(8-12-25(24)35-26)31-15-16-5-9-19(10-6-16)34-27(33)21-3-1-2-4-22(21)29/h1-15H

InChI Key

YGMRKBYDYYAOCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00314713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.660

Distribution Coefficient, logD

7.659

Water Solubility, LogSw

-6.78

Polar Surface Area

45.554

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 0781-2992 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0781-2992?
Check Price and Availability of 0781-2992, 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 0781-2992 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0781-2992
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0781-2992
  • 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 0781-2992 available by request