8013-1382 Screening compound: 1-(4-fluorophenyl)-3-{methyl[(pyridin-4-yl)methyl]amino}pyrrolidine-2,5-dione

8013-1382 Screening compound: 1-(4-fluorophenyl)-3-{methyl[(pyridin-4-yl)methyl]amino}pyrrolidine-2,5-dione
8013-1382 Screening compound: 1-(4-fluorophenyl)-3-{methyl[(pyridin-4-yl)methyl]amino}pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1382
1-(4-fluorophenyl)-3-{methyl[(pyridin-4-yl)methyl]amino}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

8013-1382

Molecular Formula

C17H16FN3O2 (C17 H16 FN3 O2)

Compound Name

1-(4-fluorophenyl)-3-{methyl[(pyridin-4-yl)methyl]amino}pyrrolidine-2,5-dione

IUPAC name

1-(4-fluorophenyl)-3-{methyl[(pyridin-4-yl)methyl]amino}pyrrolidine-25-dione

SMILES

CN(Cc1ccncc1)C(CC(N1c(cc2)ccc2F)=O)C1=O

InChI

InChI=1S/C17H16FN3O2/c1-20(11-12-6-8-19-9-7-12)15-10-16(22)21(17(15)23)14-4-2-13(18)3-5-14/h2-9,15H,10-11H2,1H3/t15-/m1/s1

InChI Key

UPYQDZGHOGZBNP-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD03373269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.409

Distribution Coefficient, logD

0.384

Water Solubility, LogSw

-0.93

Polar Surface Area

40.918

Acid Dissociation Constant (pKa)

15.59

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.53

8013-1382 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8013-1382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1382?
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What is the minimum amount of 8013-1382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1382
  • 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 8013-1382 available by request