F145-0708 Screening compound: ethyl 1-{3-[7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]propanoyl}-4-piperidinecarboxylate

F145-0708 Screening compound: ethyl 1-{3-[7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]propanoyl}-4-piperidinecarboxylate
F145-0708 Screening compound: ethyl 1-{3-[7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]propanoyl}-4-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F145-0708
ethyl 1-{3-[7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]propanoyl}-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

F145-0708

Molecular Formula

C25H35N3O4S (C25 H35 N3 O4 S)

Compound Name

ethyl 1-{3-[7-(tert-butyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]propanoyl}-4-piperidinecarboxylate

IUPAC name

ethyl 1-(3-{11-tert-butyl-3-oxo-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-5-yl}propanoyl)piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(CCC(N1)=Nc(sc(C2)c3CCC2C(C)(C)C)c3C1=O)=O)=O

InChI

InChI=1S/C25H35N3O4S/c1-5-32-24(31)15-10-12-28(13-11-15)20(29)9-8-19-26-22(30)21-17-7-6-16(25(2,3)4)14-18(17)33-23(21)27-19/h15-16H,5-14H2,1-4H3,(H,26,27,30)/t16-/m1/s1

InChI Key

DZPBCZFKGNGYFA-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD11998947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.64

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

3.969

Distribution Coefficient, logD

3.968

Water Solubility, LogSw

-4.18

Polar Surface Area

71.869

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.00

F145-0708 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GABA Library (7115 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F145-0708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F145-0708?
Check Price and Availability of F145-0708, 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 F145-0708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F145-0708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F145-0708
  • 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 F145-0708 available by request