C200-4567 Screening compound: 2-{[5-(4-bromobenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[(2-chlorophenyl)methyl]acetamide

C200-4567 Screening compound: 2-{[5-(4-bromobenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[(2-chlorophenyl)methyl]acetamide
C200-4567 Screening compound: 2-{[5-(4-bromobenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[(2-chlorophenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-4567
2-{[5-(4-bromobenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[(2-chlorophenyl)methyl]acetamide

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

C200-4567

Molecular Formula

C19H15BrClN3O4S2 (C19 H15 BrClN3 O4 S2)

Compound Name

2-{[5-(4-bromobenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[(2-chlorophenyl)methyl]acetamide

IUPAC name

2-{[5-(4-bromobenzenesulfonyl)-6-oxo-16-dihydropyrimidin-2-yl]sulfanyl}-N-[(2-chlorophenyl)methyl]acetamide

SMILES

O=C(CSC(NC1=O)=NC=C1S(c(cc1)ccc1Br)(=O)=O)NCc(cccc1)c1Cl

InChI

InChI=1S/C19H15BrClN3O4S2/c20-13-5-7-14(8-6-13)30(27,28)16-10-23-19(24-18(16)26)29-11-17(25)22-9-12-3-1-2-4-15(12)21/h1-8,10H,9,11H2,(H,22,25)(H,23,24,26)

InChI Key

UIQFIGQECANKDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.83

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.316

Distribution Coefficient, logD

1.674

Water Solubility, LogSw

-3.54

Polar Surface Area

88.462

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

-3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

C200-4567 in Drug Discovery

Included in Screening Libraries

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

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 C200-4567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4567?
Check Price and Availability of C200-4567, 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 C200-4567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4567
  • 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 C200-4567 available by request