2081-1628 Screening compound: 4-iodo-2-methyl-6-[(E)-{[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]phenol

2081-1628 Screening compound: 4-iodo-2-methyl-6-[(E)-{[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]phenol
2081-1628 Screening compound: 4-iodo-2-methyl-6-[(E)-{[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2081-1628
4-iodo-2-methyl-6-[(E)-{[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]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

2081-1628

Molecular Formula

C22H17IN2O2 (C22 H17 IN2 O2)

Compound Name

4-iodo-2-methyl-6-[(E)-{[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]phenol

IUPAC name

4-iodo-2-methyl-6-[(E)-{[3-(6-methyl-13-benzoxazol-2-yl)phenyl]imino}methyl]phenol

SMILES

Cc(cc1)cc2c1nc(-c1cccc(/N=C/c(cc(cc3C)I)c3O)c1)o2

InChI

InChI=1S/C22H17IN2O2/c1-13-6-7-19-20(8-13)27-22(25-19)15-4-3-5-18(11-15)24-12-16-10-17(23)9-14(2)21(16)26/h3-12,26H,1-2H3

InChI Key

AIGVICPSAMEVHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01146246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.345

Distribution Coefficient, logD

6.334

Water Solubility, LogSw

-5.51

Polar Surface Area

40.655

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 2081-1628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2081-1628?
Check Price and Availability of 2081-1628, 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 2081-1628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2081-1628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2081-1628
  • 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 2081-1628 available by request