2608-0653 Screening compound: N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-bromo-2-methoxybenzamide

2608-0653 Screening compound: N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-bromo-2-methoxybenzamide
2608-0653 Screening compound: N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-bromo-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2608-0653
N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-bromo-2-methoxybenzamide

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

2608-0653

Molecular Formula

C21H15BrN2O3 (C21 H15 BrN2 O3)

Compound Name

N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-bromo-2-methoxybenzamide

IUPAC name

N-[3-(13-benzoxazol-2-yl)phenyl]-5-bromo-2-methoxybenzamide

SMILES

COc(ccc(Br)c1)c1C(Nc1cc(-c2nc(cccc3)c3o2)ccc1)=O

InChI

InChI=1S/C21H15BrN2O3/c1-26-18-10-9-14(22)12-16(18)20(25)23-15-6-4-5-13(11-15)21-24-17-7-2-3-8-19(17)27-21/h2-12H,1H3,(H,23,25)

InChI Key

WVYYCYVMJZOUDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01783758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.642

Distribution Coefficient, logD

5.640

Water Solubility, LogSw

-5.59

Polar Surface Area

47.770

Acid Dissociation Constant (pKa)

9.69

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with 2608-0653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2608-0653?
Check Price and Availability of 2608-0653, 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 2608-0653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2608-0653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2608-0653
  • 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 2608-0653 available by request