D153-0173 Screening compound: 1-{5-[(3-ethoxyphenyl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one

D153-0173 Screening compound: 1-{5-[(3-ethoxyphenyl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
D153-0173 Screening compound: 1-{5-[(3-ethoxyphenyl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D153-0173
1-{5-[(3-ethoxyphenyl)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

D153-0173

Molecular Formula

C19H17F3N4O3 (C19 H17 F3 N4 O3)

Compound Name

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

IUPAC name

1-{5-[(3-ethoxyphenyl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-123-triazol-4-yl}ethan-1-one

SMILES

CCOc1cccc(Nc2nn(-c(cc3)ccc3OC(F)(F)F)nc2C(C)=O)c1

InChI

InChI=1S/C19H17F3N4O3/c1-3-28-16-6-4-5-13(11-16)23-18-17(12(2)27)24-26(25-18)14-7-9-15(10-8-14)29-19(20,21)22/h4-11H,3H2,1-2H3,(H,23,25)

InChI Key

QDFJOYMFUPOQPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.633

Distribution Coefficient, logD

4.633

Water Solubility, LogSw

-4.41

Polar Surface Area

61.781

Acid Dissociation Constant (pKa)

16.03

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D153-0173 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D153-0173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D153-0173?
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What is the minimum amount of D153-0173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D153-0173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D153-0173
  • 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 D153-0173 available by request