C680-0588 Screening compound: N-(3-methoxypropyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C680-0588 Screening compound: N-(3-methoxypropyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C680-0588 Screening compound: N-(3-methoxypropyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C680-0588
N-(3-methoxypropyl)-3-[3-(trifluoromethyl)phenyl]-[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

C680-0588

Molecular Formula

C20H18F3N5O (C20 H18 F3 N5 O)

Compound Name

N-(3-methoxypropyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

IUPAC name

N-(3-methoxypropyl)-3-[3-(trifluoromethyl)phenyl]-[123]triazolo[15-a]quinazolin-5-amine

SMILES

COCCCNc1nc2c(-c3cccc(C(F)(F)F)c3)nnn2c2c1cccc2

InChI

InChI=1S/C20H18F3N5O/c1-29-11-5-10-24-18-15-8-2-3-9-16(15)28-19(25-18)17(26-27-28)13-6-4-7-14(12-13)20(21,22)23/h2-4,6-9,12H,5,10-11H2,1H3,(H,24,25)

InChI Key

DOTNEWZMSIIEHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.513

Distribution Coefficient, logD

4.513

Water Solubility, LogSw

-4.43

Polar Surface Area

51.525

Acid Dissociation Constant (pKa)

21.19

Base Dissociation Constant (pKb)

3.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C680-0588 in Drug Discovery

Included in Screening Libraries

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 C680-0588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C680-0588?
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What is the minimum amount of C680-0588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C680-0588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C680-0588
  • 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 C680-0588 available by request