C200-4488 Screening compound: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-(4-fluorobenzyl)-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione

C200-4488 Screening compound: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-(4-fluorobenzyl)-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
C200-4488 Screening compound: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-(4-fluorobenzyl)-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-4488
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-(4-fluorobenzyl)-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-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

C200-4488

Molecular Formula

C25H17BrFN3O3S2 (C25 H17 BrFN3 O3 S2)

Compound Name

2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-(4-fluorobenzyl)-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione

IUPAC name

4-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-9-[(4-fluorophenyl)methyl]-8lambda6-thia-359-triazatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaene-88-dione

SMILES

O=C(CSc(nc1)nc(-c(cccc2)c2N2Cc(cc3)ccc3F)c1S2(=O)=O)c(cc1)ccc1Br

InChI

InChI=1S/C25H17BrFN3O3S2/c26-18-9-7-17(8-10-18)22(31)15-34-25-28-13-23-24(29-25)20-3-1-2-4-21(20)30(35(23,32)33)14-16-5-11-19(27)12-6-16/h1-13H,14-15H2

InChI Key

IWUYHPAJBPFRCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

570.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.384

Distribution Coefficient, logD

5.384

Water Solubility, LogSw

-5.59

Polar Surface Area

62.413

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

-4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

C200-4488 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

MCL1 Targeted Library (12200 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C200-4488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4488?
Check Price and Availability of C200-4488, 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 C200-4488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4488
  • 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 C200-4488 available by request