2154-0222 Screening compound: 2,5-diiodo-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide

2154-0222 Screening compound: 2,5-diiodo-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
2154-0222 Screening compound: 2,5-diiodo-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2154-0222
2,5-diiodo-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide

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

2154-0222

Molecular Formula

C22H16I2N2O2 (C22 H16 I2 N2 O2)

Compound Name

2,5-diiodo-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide

IUPAC name

25-diiodo-N-[2-methyl-5-(6-methyl-13-benzoxazol-2-yl)phenyl]benzamide

SMILES

Cc(cc1)cc2c1nc(-c1cc(NC(c(cc(cc3)I)c3I)=O)c(C)cc1)o2

InChI

InChI=1S/C22H16I2N2O2/c1-12-3-8-18-20(9-12)28-22(26-18)14-5-4-13(2)19(10-14)25-21(27)16-11-15(23)6-7-17(16)24/h3-11H,1-2H3,(H,25,27)

InChI Key

SIMUXQICWGJDPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01931327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

594.19

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.373

Distribution Coefficient, logD

7.371

Water Solubility, LogSw

-5.64

Polar Surface Area

39.442

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 2154-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2154-0222?
Check Price and Availability of 2154-0222, 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 2154-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2154-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2154-0222
  • 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 2154-0222 available by request