3729-3052 Screening compound: N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzamide

3729-3052 Screening compound: N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzamide
3729-3052 Screening compound: N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3729-3052
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-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

3729-3052

Molecular Formula

C22H17FN2O2 (C22 H17 FN2 O2)

Compound Name

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

IUPAC name

N-[3-(5-ethyl-13-benzoxazol-2-yl)phenyl]-4-fluorobenzamide

SMILES

CCc(cc1)cc2c1oc(-c1cccc(NC(c(cc3)ccc3F)=O)c1)n2

InChI

InChI=1S/C22H17FN2O2/c1-2-14-6-11-20-19(12-14)25-22(27-20)16-4-3-5-18(13-16)24-21(26)15-7-9-17(23)10-8-15/h3-13H,2H2,1H3,(H,24,26)

InChI Key

PTVSOCNBEZBRJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01143669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.453

Distribution Coefficient, logD

5.453

Water Solubility, LogSw

-5.45

Polar Surface Area

40.140

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

3729-3052 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 3729-3052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3729-3052?
Check Price and Availability of 3729-3052, 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 3729-3052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3729-3052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3729-3052
  • 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 3729-3052 available by request