V008-4091 Screening compound: ethyl 1-(2-phenethyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)-3-piperidinecarboxylate

V008-4091 Screening compound: ethyl 1-(2-phenethyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)-3-piperidinecarboxylate
V008-4091 Screening compound: ethyl 1-(2-phenethyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)-3-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4091
ethyl 1-(2-phenethyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)-3-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

V008-4091

Molecular Formula

C27H33N3O2S (C27 H33 N3 O2 S)

Compound Name

ethyl 1-(2-phenethyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)-3-piperidinecarboxylate

IUPAC name

ethyl 1-[5-(2-phenylethyl)-8-thia-46-diazatricyclo[7.5.0.0^{27}]tetradeca-1(9)2(7)35-tetraen-3-yl]piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1c1c(c(CCCCC2)c2s2)c2nc(CCc2ccccc2)n1)=O

InChI

InChI=1S/C27H33N3O2S/c1-2-32-27(31)20-12-9-17-30(18-20)25-24-21-13-7-4-8-14-22(21)33-26(24)29-23(28-25)16-15-19-10-5-3-6-11-19/h3,5-6,10-11,20H,2,4,7-9,12-18H2,1H3/t20-/m0/s1

InChI Key

TWDHQPOJCPLTEJ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19852654

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

463.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.982

Distribution Coefficient, logD

6.592

Water Solubility, LogSw

-5.76

Polar Surface Area

44.957

Acid Dissociation Constant (pKa)

21.74

Base Dissociation Constant (pKb)

7.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

51.90

V008-4091 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V008-4091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4091?
Check Price and Availability of V008-4091, 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 V008-4091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4091
  • 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 V008-4091 available by request