C243-0046 Screening compound: ethyl 4-[(4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-2-yl)carbonyl]tetrahydro-1(2H)-pyrazinecarboxylate

C243-0046 Screening compound: ethyl 4-[(4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-2-yl)carbonyl]tetrahydro-1(2H)-pyrazinecarboxylate
C243-0046 Screening compound: ethyl 4-[(4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-2-yl)carbonyl]tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C243-0046
ethyl 4-[(4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-2-yl)carbonyl]tetrahydro-1(2H)-pyrazinecarboxylate

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

C243-0046

Molecular Formula

C18H18N4O4S (C18 H18 N4 O4 S)

Compound Name

ethyl 4-[(4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-2-yl)carbonyl]tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

ethyl 4-{2-oxo-6-thia-18-diazatricyclo[7.4.0.0^{37}]trideca-3(7)481012-pentaene-5-carbonyl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c1cc(C(N(C=CC=C2)C2=N2)=O)c2s1)=O)=O

InChI

InChI=1S/C18H18N4O4S/c1-2-26-18(25)21-9-7-20(8-10-21)17(24)13-11-12-15(27-13)19-14-5-3-4-6-22(14)16(12)23/h3-6,11H,2,7-10H2,1H3

InChI Key

OODXHJLIJWNJIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04461097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.876

Distribution Coefficient, logD

1.876

Water Solubility, LogSw

-2.36

Polar Surface Area

64.815

Acid Dissociation Constant (pKa)

29.94

Base Dissociation Constant (pKb)

1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C243-0046 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 C243-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C243-0046?
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What is the minimum amount of C243-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C243-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C243-0046
  • 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 C243-0046 available by request