C680-0808 Screening compound: 1-[4-(4-{7-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-yl}piperazin-1-yl)phenyl]ethan-1-one

C680-0808 Screening compound: 1-[4-(4-{7-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-yl}piperazin-1-yl)phenyl]ethan-1-one
C680-0808 Screening compound: 1-[4-(4-{7-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-yl}piperazin-1-yl)phenyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C680-0808
1-[4-(4-{7-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-yl}piperazin-1-yl)phenyl]ethan-1-one

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

C680-0808

Molecular Formula

C28H22ClF3N6O (C28 H22 ClF3 N6 O)

Compound Name

1-[4-(4-{7-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-yl}piperazin-1-yl)phenyl]ethan-1-one

IUPAC name

1-[4-(4-{7-chloro-3-[3-(trifluoromethyl)phenyl]-[123]triazolo[15-a]quinazolin-5-yl}piperazin-1-yl)phenyl]ethan-1-one

SMILES

CC(c(cc1)ccc1N(CC1)CCN1c1nc2c(-c3cc(C(F)(F)F)ccc3)nnn2c(cc2)c1cc2Cl)=O

InChI

InChI=1S/C28H22ClF3N6O/c1-17(39)18-5-8-22(9-6-18)36-11-13-37(14-12-36)26-23-16-21(29)7-10-24(23)38-27(33-26)25(34-35-38)19-3-2-4-20(15-19)28(30,31)32/h2-10,15-16H,11-14H2,1H3

InChI Key

QPYBZTNBQKIATF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.538

Distribution Coefficient, logD

6.538

Water Solubility, LogSw

-6.44

Polar Surface Area

52.668

Acid Dissociation Constant (pKa)

21.51

Base Dissociation Constant (pKb)

3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C680-0808 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C680-0808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C680-0808?
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What is the minimum amount of C680-0808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C680-0808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C680-0808
  • 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 C680-0808 available by request