3205-1459 Screening compound: N-[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]-2-fluorobenzamide

3205-1459 Screening compound: N-[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]-2-fluorobenzamide
3205-1459 Screening compound: N-[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3205-1459
N-[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]-2-fluorobenzamide

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

3205-1459

Molecular Formula

C22H17FN2O3 (C22 H17 FN2 O3)

Compound Name

N-[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]-2-fluorobenzamide

IUPAC name

N-[2-(4-ethoxyphenyl)-13-benzoxazol-5-yl]-2-fluorobenzamide

SMILES

CCOc(cc1)ccc1-c1nc(cc(cc2)NC(c(cccc3)c3F)=O)c2o1

InChI

InChI=1S/C22H17FN2O3/c1-2-27-16-10-7-14(8-11-16)22-25-19-13-15(9-12-20(19)28-22)24-21(26)17-5-3-4-6-18(17)23/h3-13H,2H2,1H3,(H,24,26)

InChI Key

XKGAUAJCERMHLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01143824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.898

Distribution Coefficient, logD

4.888

Water Solubility, LogSw

-4.46

Polar Surface Area

47.263

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

3205-1459 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3205-1459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3205-1459?
Check Price and Availability of 3205-1459, 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 3205-1459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3205-1459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3205-1459
  • 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 3205-1459 available by request