8004-5591 Screening compound: N-(4-bromophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

8004-5591 Screening compound: N-(4-bromophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
8004-5591 Screening compound: N-(4-bromophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-5591
N-(4-bromophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

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

8004-5591

Molecular Formula

C18H17BrN2O2 (C18 H17 BrN2 O2)

Compound Name

N-(4-bromophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

IUPAC name

N-(4-bromophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

SMILES

Cc(cccc1)c1N(CC(C1)C(Nc(cc2)ccc2Br)=O)C1=O

InChI

InChI=1S/C18H17BrN2O2/c1-12-4-2-3-5-16(12)21-11-13(10-17(21)22)18(23)20-15-8-6-14(19)7-9-15/h2-9,13H,10-11H2,1H3,(H,20,23)/t13-/m0/s1

InChI Key

GWSHGIPVBLXMCJ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD00739516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.475

Distribution Coefficient, logD

3.472

Water Solubility, LogSw

-3.57

Polar Surface Area

39.779

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

-2.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

8004-5591 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8004-5591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-5591?
Check Price and Availability of 8004-5591, 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 8004-5591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-5591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-5591
  • 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 8004-5591 available by request