2239-0528 Screening compound: N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-fluorobenzamide

2239-0528 Screening compound: N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-fluorobenzamide
2239-0528 Screening compound: N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2239-0528
N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-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

2239-0528

Molecular Formula

C21H14ClFN2O2 (C21 H14 ClFN2 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc2c1oc(-c(cc(cc1)NC(c3cc(F)ccc3)=O)c1Cl)n2

InChI

InChI=1S/C21H14ClFN2O2/c1-12-5-8-19-18(9-12)25-21(27-19)16-11-15(6-7-17(16)22)24-20(26)13-3-2-4-14(23)10-13/h2-11H,1H3,(H,24,26)

InChI Key

LFTUUMBMISJEPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01832553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.81

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

5.628

Distribution Coefficient, logD

5.621

Water Solubility, LogSw

-5.95

Polar Surface Area

40.140

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with 2239-0528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2239-0528?
Check Price and Availability of 2239-0528, 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 2239-0528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2239-0528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2239-0528
  • 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 2239-0528 available by request