2154-0308 Screening compound: N-[2-(3-bromo-4-methylphenyl)-1,3-benzoxazol-5-yl]-2,5-diiodobenzamide

2154-0308 Screening compound: N-[2-(3-bromo-4-methylphenyl)-1,3-benzoxazol-5-yl]-2,5-diiodobenzamide
2154-0308 Screening compound: N-[2-(3-bromo-4-methylphenyl)-1,3-benzoxazol-5-yl]-2,5-diiodobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2154-0308
N-[2-(3-bromo-4-methylphenyl)-1,3-benzoxazol-5-yl]-2,5-diiodobenzamide

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

2154-0308

Molecular Formula

C21H13BrI2N2O2 (C21 H13 BrI2 N2 O2)

Compound Name

N-[2-(3-bromo-4-methylphenyl)-1,3-benzoxazol-5-yl]-2,5-diiodobenzamide

IUPAC name

N-[2-(3-bromo-4-methylphenyl)-13-benzoxazol-5-yl]-25-diiodobenzamide

SMILES

Cc(ccc(-c1nc(cc(cc2)NC(c(cc(cc3)I)c3I)=O)c2o1)c1)c1Br

InChI

InChI=1S/C21H13BrI2N2O2/c1-11-2-3-12(8-16(11)22)21-26-18-10-14(5-7-19(18)28-21)25-20(27)15-9-13(23)4-6-17(15)24/h2-10H,1H3,(H,25,27)

InChI Key

LKSKZFWBDVAQDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01532912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

659.06

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

8.003

Distribution Coefficient, logD

7.926

Water Solubility, LogSw

-5.73

Polar Surface Area

40.140

Acid Dissociation Constant (pKa)

8.12

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with 2154-0308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2154-0308?
Check Price and Availability of 2154-0308, 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 2154-0308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2154-0308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2154-0308
  • 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 2154-0308 available by request