0099-0252 Screening compound: 7-(diethylamino)-3-(1-methyl-1H-1,3-benzodiazol-2-yl)-2H-chromen-2-one

0099-0252 Screening compound: 7-(diethylamino)-3-(1-methyl-1H-1,3-benzodiazol-2-yl)-2H-chromen-2-one
0099-0252 Screening compound: 7-(diethylamino)-3-(1-methyl-1H-1,3-benzodiazol-2-yl)-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0099-0252
7-(diethylamino)-3-(1-methyl-1H-1,3-benzodiazol-2-yl)-2H-chromen-2-one

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

0099-0252

Molecular Formula

C21H21N3O2 (C21 H21 N3 O2)

Compound Name

7-(diethylamino)-3-(1-methyl-1H-1,3-benzodiazol-2-yl)-2H-chromen-2-one

IUPAC name

7-(diethylamino)-3-(1-methyl-1H-13-benzodiazol-2-yl)-2H-chromen-2-one

SMILES

CCN(CC)c(cc1)cc(O2)c1C=C(c1nc(cccc3)c3n1C)C2=O

InChI

InChI=1S/C21H21N3O2/c1-4-24(5-2)15-11-10-14-12-16(21(25)26-19(14)13-15)20-22-17-8-6-7-9-18(17)23(20)3/h6-13H,4-5H2,1-3H3

InChI Key

KZFUMWVJJNDGAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00051349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.161

Distribution Coefficient, logD

4.161

Water Solubility, LogSw

-4.31

Polar Surface Area

34.635

Acid Dissociation Constant (pKa)

25.68

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

0099-0252 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 compounds)

CNS Annotated Library (688 compounds)

Glucocorticoid receptors Library (4806 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0099-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0099-0252?
Check Price and Availability of 0099-0252, 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 0099-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0099-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0099-0252
  • 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 0099-0252 available by request