D153-0153 Screening compound: 1-{5-[(5-methoxyquinolin-8-yl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one

D153-0153 Screening compound: 1-{5-[(5-methoxyquinolin-8-yl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
D153-0153 Screening compound: 1-{5-[(5-methoxyquinolin-8-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 D153-0153
1-{5-[(5-methoxyquinolin-8-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

D153-0153

Molecular Formula

C21H16F3N5O3 (C21 H16 F3 N5 O3)

Compound Name

1-{5-[(5-methoxyquinolin-8-yl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one

IUPAC name

1-{5-[(5-methoxyquinolin-8-yl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-123-triazol-4-yl}ethan-1-one

SMILES

CC(c1nn(-c(cc2)ccc2OC(F)(F)F)nc1Nc(c1ncccc11)ccc1OC)=O

InChI

InChI=1S/C21H16F3N5O3/c1-12(30)18-20(26-16-9-10-17(31-2)15-4-3-11-25-19(15)16)28-29(27-18)13-5-7-14(8-6-13)32-21(22,23)24/h3-11H,1-2H3,(H,26,28)

InChI Key

BSPIEWWCABHBBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.565

Distribution Coefficient, logD

4.565

Water Solubility, LogSw

-4.40

Polar Surface Area

71.123

Acid Dissociation Constant (pKa)

16.81

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D153-0153 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D153-0153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D153-0153?
Check Price and Availability of D153-0153, 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 D153-0153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D153-0153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D153-0153
  • 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 D153-0153 available by request