C680-0910 Screening compound: 7-chloro-3-(3-methylphenyl)-N-(1-phenylethyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C680-0910 Screening compound: 7-chloro-3-(3-methylphenyl)-N-(1-phenylethyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C680-0910 Screening compound: 7-chloro-3-(3-methylphenyl)-N-(1-phenylethyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C680-0910
7-chloro-3-(3-methylphenyl)-N-(1-phenylethyl)-[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

C680-0910

Molecular Formula

C24H20ClN5 (C24 H20 ClN5)

Compound Name

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

IUPAC name

7-chloro-3-(3-methylphenyl)-N-(1-phenylethyl)-[123]triazolo[15-a]quinazolin-5-amine

SMILES

CC(c1ccccc1)Nc1nc2c(-c3cc(C)ccc3)nnn2c(cc2)c1cc2Cl

InChI

InChI=1S/C24H20ClN5/c1-15-7-6-10-18(13-15)22-24-27-23(26-16(2)17-8-4-3-5-9-17)20-14-19(25)11-12-21(20)30(24)29-28-22/h3-14,16H,1-2H3,(H,26,27)/t16-/m0/s1

InChI Key

MKZDSWJASKCNKY-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14782328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.91

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.155

Distribution Coefficient, logD

6.154

Water Solubility, LogSw

-6.37

Polar Surface Area

42.233

Acid Dissociation Constant (pKa)

16.67

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

C680-0910 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C680-0910 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C680-0910?
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What is the minimum amount of C680-0910 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C680-0910
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C680-0910
  • 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 C680-0910 available by request