1812-0638 Screening compound: 2-[(E)-{[4-(1,3-benzothiazol-2-yl)phenyl]imino}methyl]-4-benzyl-6-nitrophenol

1812-0638 Screening compound: 2-[(E)-{[4-(1,3-benzothiazol-2-yl)phenyl]imino}methyl]-4-benzyl-6-nitrophenol
1812-0638 Screening compound: 2-[(E)-{[4-(1,3-benzothiazol-2-yl)phenyl]imino}methyl]-4-benzyl-6-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1812-0638
2-[(E)-{[4-(1,3-benzothiazol-2-yl)phenyl]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

1812-0638

Molecular Formula

C27H19N3O3S (C27 H19 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1cc(Cc2ccccc2)cc(/C=N/c(cc2)ccc2-c2nc(cccc3)c3s2)c1O)=O

InChI

InChI=1S/C27H19N3O3S/c31-26-21(15-19(16-24(26)30(32)33)14-18-6-2-1-3-7-18)17-28-22-12-10-20(11-13-22)27-29-23-8-4-5-9-25(23)34-27/h1-13,15-17,31H,14H2

InChI Key

JIHUAEPYQDISOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01063257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.144

Distribution Coefficient, logD

5.342

Water Solubility, LogSw

-6.15

Polar Surface Area

66.103

Acid Dissociation Constant (pKa)

5.60

Base Dissociation Constant (pKb)

2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.70

References: we are preparing a list of scientific research reports with 1812-0638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1812-0638?
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What is the minimum amount of 1812-0638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1812-0638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1812-0638
  • 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 1812-0638 available by request