8290-04233 Screening compound: N~1~-(6-chloro-2-phenyl-2H-1,2,3-benzotriazol-5-yl)-4-cyano-2-fluorobenzamide

8290-04233 Screening compound: N~1~-(6-chloro-2-phenyl-2H-1,2,3-benzotriazol-5-yl)-4-cyano-2-fluorobenzamide
8290-04233 Screening compound: N~1~-(6-chloro-2-phenyl-2H-1,2,3-benzotriazol-5-yl)-4-cyano-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8290-04233
N~1~-(6-chloro-2-phenyl-2H-1,2,3-benzotriazol-5-yl)-4-cyano-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

8290-04233

Molecular Formula

C20H11ClFN5O (C20 H11 ClFN5 O)

Compound Name

N~1~-(6-chloro-2-phenyl-2H-1,2,3-benzotriazol-5-yl)-4-cyano-2-fluorobenzamide

IUPAC name

n/a

SMILES

N#Cc(cc1)cc(F)c1C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)=O

InChI

InChI=1S/C20H11ClFN5O/c21-15-9-18-19(26-27(25-18)13-4-2-1-3-5-13)10-17(15)24-20(28)14-7-6-12(11-23)8-16(14)22/h1-10H,(H,24,28)

InChI Key

CWYRVBFAUUQULF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08133178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.726

Distribution Coefficient, logD

2.753

Water Solubility, LogSw

-5.06

Polar Surface Area

63.722

Acid Dissociation Constant (pKa)

5.43

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8290-04233 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8290-04233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8290-04233?
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What is the minimum amount of 8290-04233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8290-04233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8290-04233
  • 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 8290-04233 available by request