8006-5234 Screening compound: 1-(4-bromophenyl)-3-[(4-fluorophenyl)amino]pyrrolidine-2,5-dione

8006-5234 Screening compound: 1-(4-bromophenyl)-3-[(4-fluorophenyl)amino]pyrrolidine-2,5-dione
8006-5234 Screening compound: 1-(4-bromophenyl)-3-[(4-fluorophenyl)amino]pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-5234
1-(4-bromophenyl)-3-[(4-fluorophenyl)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

8006-5234

Molecular Formula

C16H12BrFN2O2 (C16 H12 BrFN2 O2)

Compound Name

1-(4-bromophenyl)-3-[(4-fluorophenyl)amino]pyrrolidine-2,5-dione

IUPAC name

1-(4-bromophenyl)-3-[(4-fluorophenyl)amino]pyrrolidine-25-dione

SMILES

O=C(CC(C1=O)Nc(cc2)ccc2F)N1c(cc1)ccc1Br

InChI

InChI=1S/C16H12BrFN2O2/c17-10-1-7-13(8-2-10)20-15(21)9-14(16(20)22)19-12-5-3-11(18)4-6-12/h1-8,14,19H,9H2/t14-/m1/s1

InChI Key

CPYCPYKXUWEQNG-CQSZACIVSA-N

MDL Number (MFCD)

MFCD00759134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.19

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.786

Distribution Coefficient, logD

2.786

Water Solubility, LogSw

-3.21

Polar Surface Area

39.587

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

8006-5234 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Antibacterial Compounds Library (13827 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8006-5234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-5234?
Check Price and Availability of 8006-5234, 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 8006-5234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-5234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-5234
  • 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 8006-5234 available by request