1812-0893 Screening compound: 4-[(E)-[(5-benzyl-3-bromo-2-hydroxyphenyl)methylidene]amino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol

1812-0893 Screening compound: 4-[(E)-[(5-benzyl-3-bromo-2-hydroxyphenyl)methylidene]amino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol
1812-0893 Screening compound: 4-[(E)-[(5-benzyl-3-bromo-2-hydroxyphenyl)methylidene]amino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1812-0893
4-[(E)-[(5-benzyl-3-bromo-2-hydroxyphenyl)methylidene]amino]-2-(5-methyl-1,3-benzoxazol-2-yl)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

1812-0893

Molecular Formula

C28H21BrN2O3 (C28 H21 BrN2 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc2c1oc(-c(cc(cc1)/N=C/c3cc(Cc4ccccc4)cc(Br)c3O)c1O)n2

InChI

InChI=1S/C28H21BrN2O3/c1-17-7-10-26-24(11-17)31-28(34-26)22-15-21(8-9-25(22)32)30-16-20-13-19(14-23(29)27(20)33)12-18-5-3-2-4-6-18/h2-11,13-16,32-33H,12H2,1H3

InChI Key

OGIMEFAHGRXNOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01063503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.615

Distribution Coefficient, logD

7.287

Water Solubility, LogSw

-5.65

Polar Surface Area

56.932

Acid Dissociation Constant (pKa)

7.35

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

1812-0893 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Cardiovascular Library (22201 compounds)

Frequent Hitters Library (7624 compounds)

PLpro Library (6343 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Pool
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1812-0893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1812-0893?
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What is the minimum amount of 1812-0893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1812-0893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1812-0893
  • 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 1812-0893 available by request