C301-5259 Screening compound: 3,7-dimethyl-6-{[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C301-5259 Screening compound: 3,7-dimethyl-6-{[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
C301-5259 Screening compound: 3,7-dimethyl-6-{[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5259
3,7-dimethyl-6-{[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

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

C301-5259

Molecular Formula

C18H19N5O5S2 (C18 H19 N5 O5 S2)

Compound Name

3,7-dimethyl-6-{[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

IUPAC name

37-dimethyl-6-{[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl}-5H-[13]thiazolo[32-a]pyrimidin-5-one

SMILES

CC(N1C2=O)=CSC1=NC(C)=C2S(N(CC1)CCN1c(cc1)ccc1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C18H19N5O5S2/c1-12-11-29-18-19-13(2)16(17(24)22(12)18)30(27,28)21-9-7-20(8-10-21)14-3-5-15(6-4-14)23(25)26/h3-6,11H,7-10H2,1-2H3

InChI Key

ZKRPFSGFLDAYEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.51

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.702

Distribution Coefficient, logD

1.702

Water Solubility, LogSw

-2.33

Polar Surface Area

93.122

Acid Dissociation Constant (pKa)

26.42

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C301-5259 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 C301-5259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5259?
Check Price and Availability of C301-5259, 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 C301-5259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5259
  • 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 C301-5259 available by request