1315-0029 Screening compound: 2-(1,3-benzoxazol-2-yl)-4-[(E)-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]amino]phenol

1315-0029 Screening compound: 2-(1,3-benzoxazol-2-yl)-4-[(E)-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]amino]phenol
1315-0029 Screening compound: 2-(1,3-benzoxazol-2-yl)-4-[(E)-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]amino]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1315-0029
2-(1,3-benzoxazol-2-yl)-4-[(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

1315-0029

Molecular Formula

C20H12BrClN2O3 (C20 H12 BrClN2 O3)

Compound Name

2-(1,3-benzoxazol-2-yl)-4-[(E)-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]amino]phenol

IUPAC name

2-(13-benzoxazol-2-yl)-4-[(E)-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]amino]phenol

SMILES

Oc(ccc(/N=C/c1cc(Br)cc(Cl)c1O)c1)c1-c1nc(cccc2)c2o1

InChI

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

InChI Key

MDKGJFFPBGMVRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00694945

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

6.671

Distribution Coefficient, logD

6.126

Water Solubility, LogSw

-6.15

Polar Surface Area

57.203

Acid Dissociation Constant (pKa)

7.00

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 1315-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1315-0029?
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What is the minimum amount of 1315-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1315-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1315-0029
  • 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 1315-0029 available by request