D153-0082F Screening compound: 1-[5-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-(4-fluorophenyl)-2H-1,2,3-triazol-4-yl]-1-ethanone

D153-0082F Screening compound: 1-[5-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-(4-fluorophenyl)-2H-1,2,3-triazol-4-yl]-1-ethanone
D153-0082F Screening compound: 1-[5-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-(4-fluorophenyl)-2H-1,2,3-triazol-4-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound D153-0082F
1-[5-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-(4-fluorophenyl)-2H-1,2,3-triazol-4-yl]-1-ethanone

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

D153-0082F

Molecular Formula

C19H15FN4O4 (C19 H15 FN4 O4)

Compound Name

1-[5-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-(4-fluorophenyl)-2H-1,2,3-triazol-4-yl]-1-ethanone

IUPAC name

n/a

SMILES

CC(c1nn(-c(cc2)ccc2F)nc1Nc(cc1OCOc1c1)c1C(C)=O)=O

InChI

InChI=1S/C19H15FN4O4/c1-10(25)14-7-16-17(28-9-27-16)8-15(14)21-19-18(11(2)26)22-24(23-19)13-5-3-12(20)4-6-13/h3-8H,9H2,1-2H3,(H,21,23)

InChI Key

STTCVGQKJHEYEO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.760

Distribution Coefficient, logD

2.760

Water Solubility, LogSw

-3.20

Polar Surface Area

78.965

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

D153-0082F in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D153-0082F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D153-0082F?
Check Price and Availability of D153-0082F, 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 D153-0082F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D153-0082F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D153-0082F
  • 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 D153-0082F available by request