2154-0214 Screening compound: 2,5-diiodo-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide

2154-0214 Screening compound: 2,5-diiodo-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
2154-0214 Screening compound: 2,5-diiodo-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2154-0214
2,5-diiodo-N-[3-(5-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

2154-0214

Molecular Formula

C21H14I2N2O2 (C21 H14 I2 N2 O2)

Compound Name

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

IUPAC name

25-diiodo-N-[3-(5-methyl-13-benzoxazol-2-yl)phenyl]benzamide

SMILES

Cc(cc1)cc2c1oc(-c1cccc(NC(c(cc(cc3)I)c3I)=O)c1)n2

InChI

InChI=1S/C21H14I2N2O2/c1-12-5-8-19-18(9-12)25-21(27-19)13-3-2-4-15(10-13)24-20(26)16-11-14(22)6-7-17(16)23/h2-11H,1H3,(H,24,26)

InChI Key

ZXNAYNSLBZYXEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01532883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

580.16

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

7.321

Distribution Coefficient, logD

7.320

Water Solubility, LogSw

-5.72

Polar Surface Area

40.140

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

2154-0214 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2154-0214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2154-0214?
Check Price and Availability of 2154-0214, 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 2154-0214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2154-0214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2154-0214
  • 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 2154-0214 available by request