8010-8314 Screening compound: 1-(4-propoxyphenyl)-3-[4-(trifluoromethoxy)anilino]dihydro-1H-pyrrole-2,5-dione

8010-8314 Screening compound: 1-(4-propoxyphenyl)-3-[4-(trifluoromethoxy)anilino]dihydro-1H-pyrrole-2,5-dione
8010-8314 Screening compound: 1-(4-propoxyphenyl)-3-[4-(trifluoromethoxy)anilino]dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-8314
1-(4-propoxyphenyl)-3-[4-(trifluoromethoxy)anilino]dihydro-1H-pyrrole-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

8010-8314

Molecular Formula

C20H19F3N2O4 (C20 H19 F3 N2 O4)

Compound Name

1-(4-propoxyphenyl)-3-[4-(trifluoromethoxy)anilino]dihydro-1H-pyrrole-2,5-dione

IUPAC name

1-(4-propoxyphenyl)-3-{[4-(trifluoromethoxy)phenyl]amino}pyrrolidine-25-dione

SMILES

CCCOc(cc1)ccc1N(C(CC1Nc(cc2)ccc2OC(F)(F)F)=O)C1=O

InChI

InChI=1S/C20H19F3N2O4/c1-2-11-28-15-9-5-14(6-10-15)25-18(26)12-17(19(25)27)24-13-3-7-16(8-4-13)29-20(21,22)23/h3-10,17,24H,2,11-12H2,1H3/t17-/m0/s1

InChI Key

SOBPUEUTPJFNTK-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02108657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.074

Distribution Coefficient, logD

4.074

Water Solubility, LogSw

-4.08

Polar Surface Area

52.941

Acid Dissociation Constant (pKa)

13.65

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

8010-8314 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-8314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-8314?
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What is the minimum amount of 8010-8314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-8314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-8314
  • 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 8010-8314 available by request