C680-0815 Screening compound: 1-{7-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-yl}-4-(2,3-dimethylphenyl)piperazine

C680-0815 Screening compound: 1-{7-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-yl}-4-(2,3-dimethylphenyl)piperazine
C680-0815 Screening compound: 1-{7-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-yl}-4-(2,3-dimethylphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C680-0815
1-{7-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-yl}-4-(2,3-dimethylphenyl)piperazine

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

C680-0815

Molecular Formula

C28H24ClF3N6 (C28 H24 ClF3 N6)

Compound Name

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

IUPAC name

1-{7-chloro-3-[3-(trifluoromethyl)phenyl]-[123]triazolo[15-a]quinazolin-5-yl}-4-(23-dimethylphenyl)piperazine

SMILES

Cc1cccc(N(CC2)CCN2c2nc3c(-c4cc(C(F)(F)F)ccc4)nnn3c(cc3)c2cc3Cl)c1C

InChI

InChI=1S/C28H24ClF3N6/c1-17-5-3-8-23(18(17)2)36-11-13-37(14-12-36)26-22-16-21(29)9-10-24(22)38-27(33-26)25(34-35-38)19-6-4-7-20(15-19)28(30,31)32/h3-10,15-16H,11-14H2,1-2H3

InChI Key

IGUGJIWCOCREOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.99

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.998

Distribution Coefficient, logD

7.998

Water Solubility, LogSw

-6.75

Polar Surface Area

38.540

Acid Dissociation Constant (pKa)

21.51

Base Dissociation Constant (pKb)

3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C680-0815 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C680-0815 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C680-0815?
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What is the minimum amount of C680-0815 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C680-0815
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C680-0815
  • 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 C680-0815 available by request