8009-2467 Screening compound: 2-amino-5-(1H-1,2,3-benzotriazol-1-yl)-6-methyl-4-phenyl-4H-pyran-3-carbonitrile

8009-2467 Screening compound: 2-amino-5-(1H-1,2,3-benzotriazol-1-yl)-6-methyl-4-phenyl-4H-pyran-3-carbonitrile
8009-2467 Screening compound: 2-amino-5-(1H-1,2,3-benzotriazol-1-yl)-6-methyl-4-phenyl-4H-pyran-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2467
2-amino-5-(1H-1,2,3-benzotriazol-1-yl)-6-methyl-4-phenyl-4H-pyran-3-carbonitrile

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

8009-2467

Molecular Formula

C19H15N5O (C19 H15 N5 O)

Compound Name

2-amino-5-(1H-1,2,3-benzotriazol-1-yl)-6-methyl-4-phenyl-4H-pyran-3-carbonitrile

IUPAC name

2-amino-5-(1H-123-benzotriazol-1-yl)-6-methyl-4-phenyl-4H-pyran-3-carbonitrile

SMILES

CC(OC(N)=C(C1c2ccccc2)C#N)=C1n1nnc2c1cccc2

InChI

InChI=1S/C19H15N5O/c1-12-18(24-16-10-6-5-9-15(16)22-23-24)17(13-7-3-2-4-8-13)14(11-20)19(21)25-12/h2-10,17H,21H2,1H3/t17-/m1/s1

InChI Key

KCHZSQYIEAAJMH-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD01572585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.566

Distribution Coefficient, logD

2.566

Water Solubility, LogSw

-2.80

Polar Surface Area

72.173

Acid Dissociation Constant (pKa)

14.46

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.50

8009-2467 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 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 8009-2467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2467?
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What is the minimum amount of 8009-2467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2467
  • 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 8009-2467 available by request