4544-0024 Screening compound: 3-fluoro-N-{1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}benzamide

4544-0024 Screening compound: 3-fluoro-N-{1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}benzamide
4544-0024 Screening compound: 3-fluoro-N-{1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4544-0024
3-fluoro-N-{1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}benzamide

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

4544-0024

Molecular Formula

C23H20FN3O2 (C23 H20 FN3 O2)

Compound Name

3-fluoro-N-{1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}benzamide

IUPAC name

3-fluoro-N-{1-[2-(3-methylphenoxy)ethyl]-1H-13-benzodiazol-2-yl}benzamide

SMILES

Cc1cccc(OCCn2c(NC(c3cccc(F)c3)=O)nc3c2cccc3)c1

InChI

InChI=1S/C23H20FN3O2/c1-16-6-4-9-19(14-16)29-13-12-27-21-11-3-2-10-20(21)25-23(27)26-22(28)17-7-5-8-18(24)15-17/h2-11,14-15H,12-13H2,1H3,(H,25,26,28)

InChI Key

LYWWGQKUNVICGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03033380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.472

Distribution Coefficient, logD

5.470

Water Solubility, LogSw

-5.44

Polar Surface Area

42.562

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

4544-0024 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 4544-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4544-0024?
Check Price and Availability of 4544-0024, 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 4544-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4544-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4544-0024
  • 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 4544-0024 available by request