8002-4936 Screening compound: 2-(1,3-benzoxazol-2-yl)-4-[(E)-[(2-hydroxy-3-iodophenyl)methylidene]amino]phenol

8002-4936 Screening compound: 2-(1,3-benzoxazol-2-yl)-4-[(E)-[(2-hydroxy-3-iodophenyl)methylidene]amino]phenol
8002-4936 Screening compound: 2-(1,3-benzoxazol-2-yl)-4-[(E)-[(2-hydroxy-3-iodophenyl)methylidene]amino]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-4936
2-(1,3-benzoxazol-2-yl)-4-[(E)-[(2-hydroxy-3-iodophenyl)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

8002-4936

Molecular Formula

C20H13IN2O3 (C20 H13 IN2 O3)

Compound Name

2-(1,3-benzoxazol-2-yl)-4-[(E)-[(2-hydroxy-3-iodophenyl)methylidene]amino]phenol

IUPAC name

2-(13-benzoxazol-2-yl)-4-[(E)-[(2-hydroxy-3-iodophenyl)methylidene]amino]phenol

SMILES

Oc(ccc(/N=C/c1cccc(I)c1O)c1)c1-c1nc(cccc2)c2o1

InChI

InChI=1S/C20H13IN2O3/c21-15-5-3-4-12(19(15)25)11-22-13-8-9-17(24)14(10-13)20-23-16-6-1-2-7-18(16)26-20/h1-11,24-25H

InChI Key

BSRTVHBFXLSXMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00732721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.24

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

5.732

Distribution Coefficient, logD

5.353

Water Solubility, LogSw

-5.73

Polar Surface Area

57.203

Acid Dissociation Constant (pKa)

7.25

Base Dissociation Constant (pKb)

4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8002-4936 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 8002-4936 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-4936?
Check Price and Availability of 8002-4936, 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 8002-4936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-4936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-4936
  • 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 8002-4936 available by request