C243-0404 Screening compound: butyl 4-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-2-yl)carbonyl]amino}benzoate

C243-0404 Screening compound: butyl 4-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-2-yl)carbonyl]amino}benzoate
C243-0404 Screening compound: butyl 4-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-2-yl)carbonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C243-0404
butyl 4-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-2-yl)carbonyl]amino}benzoate

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

C243-0404

Molecular Formula

C23H21N3O4S (C23 H21 N3 O4 S)

Compound Name

butyl 4-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-2-yl)carbonyl]amino}benzoate

IUPAC name

butyl 4-{10-methyl-2-oxo-6-thia-18-diazatricyclo[7.4.0.0^{37}]trideca-3(7)481012-pentaene-5-amido}benzoate

SMILES

CCCCOC(c(cc1)ccc1NC(c1cc(C(N(C=CC=C2C)C2=N2)=O)c2s1)=O)=O

InChI

InChI=1S/C23H21N3O4S/c1-3-4-12-30-23(29)15-7-9-16(10-8-15)24-20(27)18-13-17-21(31-18)25-19-14(2)6-5-11-26(19)22(17)28/h5-11,13H,3-4,12H2,1-2H3,(H,24,27)

InChI Key

VHFPCHCXPFXUBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04461338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.935

Distribution Coefficient, logD

4.923

Water Solubility, LogSw

-4.73

Polar Surface Area

68.547

Acid Dissociation Constant (pKa)

8.95

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

C243-0404 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

SH2 Library (10483 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C243-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C243-0404?
Check Price and Availability of C243-0404, 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 C243-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C243-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C243-0404
  • 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 C243-0404 available by request