D153-0164 Screening compound: 4-({5-acetyl-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}amino)-N-cyclopropylbenzamide

D153-0164 Screening compound: 4-({5-acetyl-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}amino)-N-cyclopropylbenzamide
D153-0164 Screening compound: 4-({5-acetyl-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}amino)-N-cyclopropylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D153-0164
4-({5-acetyl-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}amino)-N-cyclopropylbenzamide

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

D153-0164

Molecular Formula

C21H18F3N5O3 (C21 H18 F3 N5 O3)

Compound Name

4-({5-acetyl-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}amino)-N-cyclopropylbenzamide

IUPAC name

4-({5-acetyl-2-[4-(trifluoromethoxy)phenyl]-2H-123-triazol-4-yl}amino)-N-cyclopropylbenzamide

SMILES

CC(c1nn(-c(cc2)ccc2OC(F)(F)F)nc1Nc(cc1)ccc1C(NC1CC1)=O)=O

InChI

InChI=1S/C21H18F3N5O3/c1-12(30)18-19(25-14-4-2-13(3-5-14)20(31)26-15-6-7-15)28-29(27-18)16-8-10-17(11-9-16)32-21(22,23)24/h2-5,8-11,15H,6-7H2,1H3,(H,25,28)(H,26,31)

InChI Key

RUMZUXOWYMTRPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.622

Distribution Coefficient, logD

3.622

Water Solubility, LogSw

-3.89

Polar Surface Area

79.127

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D153-0164 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D153-0164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D153-0164?
Check Price and Availability of D153-0164, 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 D153-0164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D153-0164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D153-0164
  • 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 D153-0164 available by request