4802-0124 Screening compound: 1-(4-bromophenyl)-3-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione

4802-0124 Screening compound: 1-(4-bromophenyl)-3-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione
4802-0124 Screening compound: 1-(4-bromophenyl)-3-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4802-0124
1-(4-bromophenyl)-3-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]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

4802-0124

Molecular Formula

C16H14BrN3O2S (C16 H14 BrN3 O2 S)

Compound Name

1-(4-bromophenyl)-3-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione

IUPAC name

1-(4-bromophenyl)-3-[(46-dimethylpyrimidin-2-yl)sulfanyl]pyrrolidine-25-dione

SMILES

Cc1nc(SC(CC(N2c(cc3)ccc3Br)=O)C2=O)nc(C)c1

InChI

InChI=1S/C16H14BrN3O2S/c1-9-7-10(2)19-16(18-9)23-13-8-14(21)20(15(13)22)12-5-3-11(17)4-6-12/h3-7,13H,8H2,1-2H3/t13-/m1/s1

InChI Key

NSBYASYKWPNOAP-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD02294748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.717

Distribution Coefficient, logD

2.716

Water Solubility, LogSw

-2.98

Polar Surface Area

46.064

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

4802-0124 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4802-0124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4802-0124?
Check Price and Availability of 4802-0124, 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 4802-0124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4802-0124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4802-0124
  • 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 4802-0124 available by request