D153-0152 Screening compound: 1-{5-[(quinolin-5-yl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one

D153-0152 Screening compound: 1-{5-[(quinolin-5-yl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
D153-0152 Screening compound: 1-{5-[(quinolin-5-yl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D153-0152
1-{5-[(quinolin-5-yl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}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

D153-0152

Molecular Formula

C20H14F3N5O2 (C20 H14 F3 N5 O2)

Compound Name

1-{5-[(quinolin-5-yl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one

IUPAC name

1-{5-[(quinolin-5-yl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-123-triazol-4-yl}ethan-1-one

SMILES

CC(c1nn(-c(cc2)ccc2OC(F)(F)F)nc1Nc1cccc2ncccc12)=O

InChI

InChI=1S/C20H14F3N5O2/c1-12(29)18-19(25-17-6-2-5-16-15(17)4-3-11-24-16)27-28(26-18)13-7-9-14(10-8-13)30-20(21,22)23/h2-11H,1H3,(H,25,27)

InChI Key

ZTVXGIPFQCMIFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.229

Distribution Coefficient, logD

4.226

Water Solubility, LogSw

-4.35

Polar Surface Area

62.722

Acid Dissociation Constant (pKa)

15.37

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

D153-0152 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D153-0152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D153-0152?
Check Price and Availability of D153-0152, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D153-0152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D153-0152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D153-0152
  • 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 D153-0152 available by request