D153-0163 Screening compound: 1-{5-[(4-chlorophenyl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one

D153-0163 Screening compound: 1-{5-[(4-chlorophenyl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
D153-0163 Screening compound: 1-{5-[(4-chlorophenyl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D153-0163
1-{5-[(4-chlorophenyl)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

D153-0163

Molecular Formula

C17H12ClF3N4O2 (C17 H12 ClF3 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(c1nn(-c(cc2)ccc2OC(F)(F)F)nc1Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C17H12ClF3N4O2/c1-10(26)15-16(22-12-4-2-11(18)3-5-12)24-25(23-15)13-6-8-14(9-7-13)27-17(19,20)21/h2-9H,1H3,(H,22,24)

InChI Key

JDQVMWRYYZSSDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.774

Distribution Coefficient, logD

4.774

Water Solubility, LogSw

-4.96

Polar Surface Area

54.657

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D153-0163 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D153-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D153-0163?
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What is the minimum amount of D153-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D153-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D153-0163
  • 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 D153-0163 available by request