C243-0043 Screening compound: ethyl 1-[(4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-2-yl)carbonyl]-4-piperidinecarboxylate

C243-0043 Screening compound: ethyl 1-[(4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-2-yl)carbonyl]-4-piperidinecarboxylate
C243-0043 Screening compound: ethyl 1-[(4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-2-yl)carbonyl]-4-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C243-0043
ethyl 1-[(4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-2-yl)carbonyl]-4-piperidinecarboxylate

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

C243-0043

Molecular Formula

C19H19N3O4S (C19 H19 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C19H19N3O4S/c1-2-26-19(25)12-6-9-21(10-7-12)18(24)14-11-13-16(27-14)20-15-5-3-4-8-22(15)17(13)23/h3-5,8,11-12H,2,6-7,9-10H2,1H3

InChI Key

CCLUIZVVCMQXLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04461094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.250

Distribution Coefficient, logD

2.250

Water Solubility, LogSw

-2.51

Polar Surface Area

62.789

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

C243-0043 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 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 C243-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C243-0043?
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What is the minimum amount of C243-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C243-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C243-0043
  • 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 C243-0043 available by request