8001-5440 Screening compound: 2,4-diiodo-6-[(E)-[(2-phenyl-1H-1,3-benzodiazol-5-yl)imino]methyl]phenol

8001-5440 Screening compound: 2,4-diiodo-6-[(E)-[(2-phenyl-1H-1,3-benzodiazol-5-yl)imino]methyl]phenol
8001-5440 Screening compound: 2,4-diiodo-6-[(E)-[(2-phenyl-1H-1,3-benzodiazol-5-yl)imino]methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-5440
2,4-diiodo-6-[(E)-[(2-phenyl-1H-1,3-benzodiazol-5-yl)imino]methyl]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

8001-5440

Molecular Formula

C20H13I2N3O (C20 H13 I2 N3 O)

Compound Name

2,4-diiodo-6-[(E)-[(2-phenyl-1H-1,3-benzodiazol-5-yl)imino]methyl]phenol

IUPAC name

24-diiodo-6-[(E)-[(2-phenyl-1H-13-benzodiazol-5-yl)imino]methyl]phenol

SMILES

Oc(c(/C=N/c(cc1)cc2c1[nH]c(-c1ccccc1)n2)cc(I)c1)c1I

InChI

InChI=1S/C20H13I2N3O/c21-14-8-13(19(26)16(22)9-14)11-23-15-6-7-17-18(10-15)25-20(24-17)12-4-2-1-3-5-12/h1-11,26H,(H,24,25)

InChI Key

BFURCHACHZIBGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00741635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

565.15

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.740

Distribution Coefficient, logD

6.115

Water Solubility, LogSw

-6.30

Polar Surface Area

42.865

Acid Dissociation Constant (pKa)

6.89

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8001-5440 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8001-5440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-5440?
Check Price and Availability of 8001-5440, 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 8001-5440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-5440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-5440
  • 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 8001-5440 available by request