3748-0224 Screening compound: N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-2-fluorobenzamide

3748-0224 Screening compound: N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-2-fluorobenzamide
3748-0224 Screening compound: N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3748-0224
N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-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

3748-0224

Molecular Formula

C21H17FN4O2 (C21 H17 FN4 O2)

Compound Name

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

IUPAC name

N-[2-(4-ethoxyphenyl)-2H-123-benzotriazol-5-yl]-2-fluorobenzamide

SMILES

CCOc(cc1)ccc1-n1nc(cc(cc2)NC(c(cccc3)c3F)=O)c2n1

InChI

InChI=1S/C21H17FN4O2/c1-2-28-16-10-8-15(9-11-16)26-24-19-12-7-14(13-20(19)25-26)23-21(27)17-5-3-4-6-18(17)22/h3-13H,2H2,1H3,(H,23,27)

InChI Key

SAVPUYAUZVAKFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01063978

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

6

Partition Coefficient, logP

4.647

Distribution Coefficient, logD

4.533

Water Solubility, LogSw

-4.35

Polar Surface Area

54.487

Acid Dissociation Constant (pKa)

7.92

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 3748-0224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3748-0224?
Check Price and Availability of 3748-0224, 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 3748-0224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3748-0224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3748-0224
  • 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 3748-0224 available by request