8290-04065 Screening compound: 4-cyano-N-[2-(4-ethylphenyl)-2H-1,2,3-benzotriazol-5-yl]-2-fluorobenzamide

8290-04065 Screening compound: 4-cyano-N-[2-(4-ethylphenyl)-2H-1,2,3-benzotriazol-5-yl]-2-fluorobenzamide
8290-04065 Screening compound: 4-cyano-N-[2-(4-ethylphenyl)-2H-1,2,3-benzotriazol-5-yl]-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8290-04065
4-cyano-N-[2-(4-ethylphenyl)-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

8290-04065

Molecular Formula

C22H16FN5O (C22 H16 FN5 O)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1-n1nc(cc(cc2)NC(c(ccc(C#N)c3)c3F)=O)c2n1

InChI

InChI=1S/C22H16FN5O/c1-2-14-3-7-17(8-4-14)28-26-20-10-6-16(12-21(20)27-28)25-22(29)18-9-5-15(13-24)11-19(18)23/h3-12H,2H2,1H3,(H,25,29)

InChI Key

YRSTXJCTVLSXPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08572772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.4

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

5.251

Distribution Coefficient, logD

4.906

Water Solubility, LogSw

-5.05

Polar Surface Area

64.420

Acid Dissociation Constant (pKa)

7.32

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

8290-04065 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8290-04065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8290-04065?
Check Price and Availability of 8290-04065, 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 8290-04065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8290-04065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8290-04065
  • 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 8290-04065 available by request