8290-04228 Screening compound: N-[2-(4-fluorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-4-(propan-2-yloxy)benzamide

8290-04228 Screening compound: N-[2-(4-fluorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-4-(propan-2-yloxy)benzamide
8290-04228 Screening compound: N-[2-(4-fluorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-4-(propan-2-yloxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8290-04228
N-[2-(4-fluorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-4-(propan-2-yloxy)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

8290-04228

Molecular Formula

C23H21FN4O2 (C23 H21 FN4 O2)

Compound Name

N-[2-(4-fluorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-4-(propan-2-yloxy)benzamide

IUPAC name

N-[2-(4-fluorophenyl)-6-methyl-2H-123-benzotriazol-5-yl]-4-(propan-2-yloxy)benzamide

SMILES

CC(C)Oc(cc1)ccc1C(Nc1cc2nn(-c(cc3)ccc3F)nc2cc1C)=O

InChI

InChI=1S/C23H21FN4O2/c1-14(2)30-19-10-4-16(5-11-19)23(29)25-20-13-22-21(12-15(20)3)26-28(27-22)18-8-6-17(24)7-9-18/h4-14H,1-3H3,(H,25,29)

InChI Key

HCCQFMGWPPTGQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09454319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.44

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

4.873

Distribution Coefficient, logD

4.860

Water Solubility, LogSw

-4.60

Polar Surface Area

53.469

Acid Dissociation Constant (pKa)

8.93

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

8290-04228 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8290-04228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8290-04228?
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What is the minimum amount of 8290-04228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8290-04228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8290-04228
  • 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 8290-04228 available by request