8003-7174 Screening compound: 4-[(E)-{[4-hydroxy-3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]phenyl 4-bromobenzoate

8003-7174 Screening compound: 4-[(E)-{[4-hydroxy-3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]phenyl 4-bromobenzoate
8003-7174 Screening compound: 4-[(E)-{[4-hydroxy-3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]phenyl 4-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-7174
4-[(E)-{[4-hydroxy-3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]phenyl 4-bromobenzoate

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

8003-7174

Molecular Formula

C28H19BrN2O4 (C28 H19 BrN2 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc2c1nc(-c(cc(cc1)/N=C/c(cc3)ccc3OC(c(cc3)ccc3Br)=O)c1O)o2

InChI

InChI=1S/C28H19BrN2O4/c1-17-3-2-4-25-26(17)31-27(35-25)23-15-21(11-14-24(23)32)30-16-18-5-12-22(13-6-18)34-28(33)19-7-9-20(29)10-8-19/h2-16,32H,1H3

InChI Key

FZBFKPZENTZFNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00736108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.308

Distribution Coefficient, logD

7.306

Water Solubility, LogSw

-5.63

Polar Surface Area

62.872

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.60

References: we are preparing a list of scientific research reports with 8003-7174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-7174?
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What is the minimum amount of 8003-7174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-7174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-7174
  • 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 8003-7174 available by request