C367-0136 Screening compound: ethyl 4-[(12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-9-yl)carbonyl]tetrahydro-1(2H)-pyrazinecarboxylate

C367-0136 Screening compound: ethyl 4-[(12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-9-yl)carbonyl]tetrahydro-1(2H)-pyrazinecarboxylate
C367-0136 Screening compound: ethyl 4-[(12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-9-yl)carbonyl]tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C367-0136
ethyl 4-[(12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-9-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

C367-0136

Molecular Formula

C22H24N4O4S (C22 H24 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-9-yl)carbonyl]tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

ethyl 4-{9-oxo-17-thia-28-diazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(10)24611(16)-pentaene-6-carbonyl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(C(C=CC1=Nc2c3c(CCCC4)c4s2)=CN1C3=O)=O)=O

InChI

InChI=1S/C22H24N4O4S/c1-2-30-22(29)25-11-9-24(10-12-25)20(27)14-7-8-17-23-19-18(21(28)26(17)13-14)15-5-3-4-6-16(15)31-19/h7-8,13H,2-6,9-12H2,1H3

InChI Key

CISJLJFUPBOGDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.52

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

2.378

Distribution Coefficient, logD

2.378

Water Solubility, LogSw

-2.23

Polar Surface Area

65.255

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

C367-0136 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C367-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C367-0136?
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What is the minimum amount of C367-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C367-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C367-0136
  • 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 C367-0136 available by request