C680-0036 Screening compound: 3-phenyl-N-[3-(propan-2-yloxy)propyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C680-0036 Screening compound: 3-phenyl-N-[3-(propan-2-yloxy)propyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C680-0036 Screening compound: 3-phenyl-N-[3-(propan-2-yloxy)propyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C680-0036
3-phenyl-N-[3-(propan-2-yloxy)propyl]-[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

C680-0036

Molecular Formula

C21H23N5O (C21 H23 N5 O)

Compound Name

3-phenyl-N-[3-(propan-2-yloxy)propyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

IUPAC name

3-phenyl-N-[3-(propan-2-yloxy)propyl]-[123]triazolo[15-a]quinazolin-5-amine

SMILES

CC(C)OCCCNc1nc2c(-c3ccccc3)nnn2c2c1cccc2

InChI

InChI=1S/C21H23N5O/c1-15(2)27-14-8-13-22-20-17-11-6-7-12-18(17)26-21(23-20)19(24-25-26)16-9-4-3-5-10-16/h3-7,9-12,15H,8,13-14H2,1-2H3,(H,22,23)

InChI Key

HFSSAAOWMKBYKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.45

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

3.992

Distribution Coefficient, logD

3.992

Water Solubility, LogSw

-4.07

Polar Surface Area

50.384

Acid Dissociation Constant (pKa)

21.19

Base Dissociation Constant (pKb)

3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C680-0036 in Drug Discovery

Included in Screening Libraries

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 C680-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C680-0036?
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What is the minimum amount of C680-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C680-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C680-0036
  • 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 C680-0036 available by request