C680-0541 Screening compound: 3-(3-methylphenyl)-N-pentyl-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C680-0541 Screening compound: 3-(3-methylphenyl)-N-pentyl-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C680-0541 Screening compound: 3-(3-methylphenyl)-N-pentyl-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C680-0541
3-(3-methylphenyl)-N-pentyl-[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

C680-0541

Molecular Formula

C21H23N5 (C21 H23 N5)

Compound Name

3-(3-methylphenyl)-N-pentyl-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

IUPAC name

3-(3-methylphenyl)-N-pentyl-[123]triazolo[15-a]quinazolin-5-amine

SMILES

CCCCCNc1nc2c(-c3cc(C)ccc3)nnn2c2c1cccc2

InChI

InChI=1S/C21H23N5/c1-3-4-7-13-22-20-17-11-5-6-12-18(17)26-21(23-20)19(24-25-26)16-10-8-9-15(2)14-16/h5-6,8-12,14H,3-4,7,13H2,1-2H3,(H,22,23)

InChI Key

MRXKNJKTHKZGJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.630

Distribution Coefficient, logD

5.630

Water Solubility, LogSw

-5.70

Polar Surface Area

43.183

Acid Dissociation Constant (pKa)

20.53

Base Dissociation Constant (pKb)

8.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with C680-0541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C680-0541?
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What is the minimum amount of C680-0541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C680-0541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C680-0541
  • 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 C680-0541 available by request