0780-0984 Screening compound: 4-bromo-2-ethoxy-6-[(E)-{[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol

0780-0984 Screening compound: 4-bromo-2-ethoxy-6-[(E)-{[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol
0780-0984 Screening compound: 4-bromo-2-ethoxy-6-[(E)-{[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0780-0984
4-bromo-2-ethoxy-6-[(E)-{[2-(3-methylphenyl)-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

0780-0984

Molecular Formula

C23H19BrN2O3 (C23 H19 BrN2 O3)

Compound Name

4-bromo-2-ethoxy-6-[(E)-{[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol

IUPAC name

4-bromo-2-ethoxy-6-[(E)-{[2-(3-methylphenyl)-13-benzoxazol-5-yl]imino}methyl]phenol

SMILES

CCOc(cc(cc1/C=N/c(cc2)cc3c2oc(-c2cc(C)ccc2)n3)Br)c1O

InChI

InChI=1S/C23H19BrN2O3/c1-3-28-21-11-17(24)10-16(22(21)27)13-25-18-7-8-20-19(12-18)26-23(29-20)15-6-4-5-14(2)9-15/h4-13,27H,3H2,1-2H3

InChI Key

ZSEOUBKLOFZGBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00579246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.331

Distribution Coefficient, logD

6.262

Water Solubility, LogSw

-5.46

Polar Surface Area

47.866

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with 0780-0984 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0780-0984?
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What is the minimum amount of 0780-0984 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0780-0984
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0780-0984
  • 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 0780-0984 available by request