C680-0630 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C680-0630 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C680-0630 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C680-0630
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

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

C680-0630

Molecular Formula

C25H22FN5O2 (C25 H22 FN5 O2)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-3-(3-fluorophenyl)-[123]triazolo[15-a]quinazolin-5-amine

SMILES

COc(ccc(CCNc1nc2c(-c3cccc(F)c3)nnn2c2c1cccc2)c1)c1OC

InChI

InChI=1S/C25H22FN5O2/c1-32-21-11-10-16(14-22(21)33-2)12-13-27-24-19-8-3-4-9-20(19)31-25(28-24)23(29-30-31)17-6-5-7-18(26)15-17/h3-11,14-15H,12-13H2,1-2H3,(H,27,28)

InChI Key

KAMGDUFWJYYIAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.591

Distribution Coefficient, logD

4.591

Water Solubility, LogSw

-4.48

Polar Surface Area

58.172

Acid Dissociation Constant (pKa)

20.05

Base Dissociation Constant (pKb)

8.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

C680-0630 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 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
Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C680-0630 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C680-0630?
Check Price and Availability of C680-0630, 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 C680-0630 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C680-0630
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C680-0630
  • 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 C680-0630 available by request