1812-0642 Screening compound: 2-({[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]imino}methyl)-4-benzyl-6-nitrophenol

1812-0642 Screening compound: 2-({[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]imino}methyl)-4-benzyl-6-nitrophenol
1812-0642 Screening compound: 2-({[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]imino}methyl)-4-benzyl-6-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1812-0642
2-({[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]imino}methyl)-4-benzyl-6-nitrophenol

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

1812-0642

Molecular Formula

C27H19N3O5 (C27 H19 N3 O5)

Compound Name

2-({[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]imino}methyl)-4-benzyl-6-nitrophenol

IUPAC name

2-({[3-(13-benzoxazol-2-yl)-4-hydroxyphenyl]imino}methyl)-4-benzyl-6-nitrophenol

SMILES

[O-][N+](c(cc(Cc1ccccc1)cc1/C=N/c(cc2)cc(-c3nc(cccc4)c4o3)c2O)c1O)=O

InChI

InChI=1S/C27H19N3O5/c31-24-11-10-20(15-21(24)27-29-22-8-4-5-9-25(22)35-27)28-16-19-13-18(12-17-6-2-1-3-7-17)14-23(26(19)32)30(33)34/h1-11,13-16,31-32H,12H2

InChI Key

YMCNBPHHUGOEJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01063261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.915

Distribution Coefficient, logD

5.113

Water Solubility, LogSw

-6.05

Polar Surface Area

90.012

Acid Dissociation Constant (pKa)

5.60

Base Dissociation Constant (pKb)

2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.70

1812-0642 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 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
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1812-0642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1812-0642?
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What is the minimum amount of 1812-0642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1812-0642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1812-0642
  • 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 1812-0642 available by request