C367-0075 Screening compound: ethyl 4-{[(12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-7-yl)carbonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate

C367-0075 Screening compound: ethyl 4-{[(12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-7-yl)carbonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate
C367-0075 Screening compound: ethyl 4-{[(12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-7-yl)carbonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C367-0075
ethyl 4-{[(12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-7-yl)carbonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate

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

C367-0075

Molecular Formula

C23H26N4O4S (C23 H26 N4 O4 S)

Compound Name

ethyl 4-{[(12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-7-yl)carbonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate

IUPAC name

ethyl 4-{9-oxo-17-thia-28-diazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(10)24611(16)-pentaene-4-amido}piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(C1=CC=CN2C1=Nc(sc1c3CCCC1)c3C2=O)=O)=O

InChI

InChI=1S/C23H26N4O4S/c1-2-31-23(30)26-12-9-14(10-13-26)24-20(28)16-7-5-11-27-19(16)25-21-18(22(27)29)15-6-3-4-8-17(15)32-21/h5,7,11,14H,2-4,6,8-10,12-13H2,1H3,(H,24,28)

InChI Key

XBUFPHUUZCBMTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.912

Distribution Coefficient, logD

2.912

Water Solubility, LogSw

-3.27

Polar Surface Area

71.247

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

C367-0075 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C367-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C367-0075?
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What is the minimum amount of C367-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C367-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C367-0075
  • 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 C367-0075 available by request