8010-4142 Screening compound: 3-[4-(4-nitrophenyl)piperazin-1-yl]-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione

8010-4142 Screening compound: 3-[4-(4-nitrophenyl)piperazin-1-yl]-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione
8010-4142 Screening compound: 3-[4-(4-nitrophenyl)piperazin-1-yl]-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4142
3-[4-(4-nitrophenyl)piperazin-1-yl]-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione

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

8010-4142

Molecular Formula

C21H19F3N4O5 (C21 H19 F3 N4 O5)

Compound Name

3-[4-(4-nitrophenyl)piperazin-1-yl]-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione

IUPAC name

3-[4-(4-nitrophenyl)piperazin-1-yl]-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-25-dione

SMILES

[O-][N+](c(cc1)ccc1N(CC1)CCN1C(CC(N1c(cc2)ccc2OC(F)(F)F)=O)C1=O)=O

InChI

InChI=1S/C21H19F3N4O5/c22-21(23,24)33-17-7-5-15(6-8-17)27-19(29)13-18(20(27)30)26-11-9-25(10-12-26)14-1-3-16(4-2-14)28(31)32/h1-8,18H,9-13H2/t18-/m1/s1

InChI Key

UCKSMDGXKYEYDR-GOSISDBHSA-N

MDL Number (MFCD)

MFCD01872376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.095

Distribution Coefficient, logD

3.095

Water Solubility, LogSw

-3.41

Polar Surface Area

74.566

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

2.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

8010-4142 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8010-4142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4142?
Check Price and Availability of 8010-4142, 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 8010-4142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4142
  • 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 8010-4142 available by request