8016-1024 Screening compound: 3-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-1-(4-methoxyphenyl)-3-(prop-2-en-1-yl)urea

8016-1024 Screening compound: 3-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-1-(4-methoxyphenyl)-3-(prop-2-en-1-yl)urea
8016-1024 Screening compound: 3-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-1-(4-methoxyphenyl)-3-(prop-2-en-1-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-1024
3-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-1-(4-methoxyphenyl)-3-(prop-2-en-1-yl)urea

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

8016-1024

Molecular Formula

C21H20FN3O4 (C21 H20 FN3 O4)

Compound Name

3-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-1-(4-methoxyphenyl)-3-(prop-2-en-1-yl)urea

IUPAC name

3-[1-(4-fluorophenyl)-25-dioxopyrrolidin-3-yl]-1-(4-methoxyphenyl)-3-(prop-2-en-1-yl)urea

SMILES

COc(cc1)ccc1NC(N(CC=C)C(CC(N1c(cc2)ccc2F)=O)C1=O)=O

InChI

InChI=1S/C21H20FN3O4/c1-3-12-24(21(28)23-15-6-10-17(29-2)11-7-15)18-13-19(26)25(20(18)27)16-8-4-14(22)5-9-16/h3-11,18H,1,12-13H2,2H3,(H,23,28)/t18-/m1/s1

InChI Key

WBKFONJOMMXZKR-GOSISDBHSA-N

MDL Number (MFCD)

MFCD05260236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.281

Distribution Coefficient, logD

2.281

Water Solubility, LogSw

-2.92

Polar Surface Area

60.501

Acid Dissociation Constant (pKa)

13.99

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.05

8016-1024 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Proteases
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-1024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-1024?
Check Price and Availability of 8016-1024, 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 8016-1024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-1024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-1024
  • 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 8016-1024 available by request