C258-0471 Screening compound: 11-(4-ETHYLPHENYL)-9-({6-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-2-YL}METHYL)-7-THIA-9,11-DIAZATRICYCLO[6.4.0.0^(2,6)]DODECA-1(8),2(6)-DIENE-10,12-DIONE

C258-0471 Screening compound: 11-(4-ETHYLPHENYL)-9-({6-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-2-YL}METHYL)-7-THIA-9,11-DIAZATRICYCLO[6.4.0.0^(2,6)]DODECA-1(8),2(6)-DIENE-10,12-DIONE
C258-0471 Screening compound: 11-(4-ETHYLPHENYL)-9-({6-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-2-YL}METHYL)-7-THIA-9,11-DIAZATRICYCLO[6.4.0.0^(2,6)]DODECA-1(8),2(6)-DIENE-10,12-DIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound C258-0471
11-(4-ETHYLPHENYL)-9-({6-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-2-YL}METHYL)-7-THIA-9,11-DIAZATRICYCLO[6.4.0.0^(2,6)]DODECA-1(8),2(6)-DIENE-10,12-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

C258-0471

Molecular Formula

C27H24N4O3S (C27 H24 N4 O3 S)

Compound Name

11-(4-ETHYLPHENYL)-9-({6-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-2-YL}METHYL)-7-THIA-9,11-DIAZATRICYCLO[6.4.0.0^(2,6)]DODECA-1(8),2(6)-DIENE-10,12-DIONE

IUPAC name

n/a

SMILES

CCc(cc1)ccc1N(C(c1c(N2CC(N=C3N4C(C)=CC=C3)=CC4=O)sc3c1CCC3)=O)C2=O

InChI

InChI=1S/C27H24N4O3S/c1-3-17-10-12-19(13-11-17)31-25(33)24-20-7-5-8-21(20)35-26(24)29(27(31)34)15-18-14-23(32)30-16(2)6-4-9-22(30)28-18/h4,6,9-14H,3,5,7-8,15H2,1-2H3

InChI Key

JLXXZIUMVNHRDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05717588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.153

Distribution Coefficient, logD

4.153

Water Solubility, LogSw

-4.28

Polar Surface Area

57.045

Acid Dissociation Constant (pKa)

20.09

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C258-0471 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C258-0471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C258-0471?
Check Price and Availability of C258-0471, 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 C258-0471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C258-0471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C258-0471
  • 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 C258-0471 available by request