1812-0635 Screening compound: 4-benzyl-2-({[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-6-nitrophenol

1812-0635 Screening compound: 4-benzyl-2-({[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-6-nitrophenol
1812-0635 Screening compound: 4-benzyl-2-({[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-6-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1812-0635
4-benzyl-2-({[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-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

1812-0635

Molecular Formula

C28H21N3O4 (C28 H21 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc2c1nc(-c1cccc(/N=C/c3cc(Cc4ccccc4)cc([N+]([O-])=O)c3O)c1)o2

InChI

InChI=1S/C28H21N3O4/c1-18-10-11-24-26(12-18)35-28(30-24)21-8-5-9-23(16-21)29-17-22-14-20(13-19-6-3-2-4-7-19)15-25(27(22)32)31(33)34/h2-12,14-17,32H,13H2,1H3

InChI Key

SOYSOMGEZWMQOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01063255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.987

Distribution Coefficient, logD

5.185

Water Solubility, LogSw

-5.78

Polar Surface Area

73.464

Acid Dissociation Constant (pKa)

5.60

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

1812-0635 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1812-0635 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1812-0635?
Check Price and Availability of 1812-0635, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1812-0635 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1812-0635
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1812-0635
  • 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 1812-0635 available by request