D153-0167 Screening compound: 1-{5-[(6-acetyl-2H-1,3-benzodioxol-5-yl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one

D153-0167 Screening compound: 1-{5-[(6-acetyl-2H-1,3-benzodioxol-5-yl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
D153-0167 Screening compound: 1-{5-[(6-acetyl-2H-1,3-benzodioxol-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 D153-0167
1-{5-[(6-acetyl-2H-1,3-benzodioxol-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

D153-0167

Molecular Formula

C20H15F3N4O5 (C20 H15 F3 N4 O5)

Compound Name

1-{5-[(6-acetyl-2H-1,3-benzodioxol-5-yl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one

IUPAC name

1-{5-[(6-acetyl-2H-13-benzodioxol-5-yl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-123-triazol-4-yl}ethan-1-one

SMILES

CC(c1nn(-c(cc2)ccc2OC(F)(F)F)nc1Nc(cc1OCOc1c1)c1C(C)=O)=O

InChI

InChI=1S/C20H15F3N4O5/c1-10(28)14-7-16-17(31-9-30-16)8-15(14)24-19-18(11(2)29)25-27(26-19)12-3-5-13(6-4-12)32-20(21,22)23/h3-8H,9H2,1-2H3,(H,24,26)

InChI Key

VBEVASGUBXCVOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.922

Distribution Coefficient, logD

3.922

Water Solubility, LogSw

-4.05

Polar Surface Area

84.902

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D153-0167 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D153-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D153-0167?
Check Price and Availability of D153-0167, 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 D153-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D153-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D153-0167
  • 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 D153-0167 available by request