V009-0676 Screening compound: ethyl 1-(2-isopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)-4-piperidinecarboxylate

V009-0676 Screening compound: ethyl 1-(2-isopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)-4-piperidinecarboxylate
V009-0676 Screening compound: ethyl 1-(2-isopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)-4-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-0676
ethyl 1-(2-isopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)-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

V009-0676

Molecular Formula

C22H31N3O2S (C22 H31 N3 O2 S)

Compound Name

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

IUPAC name

ethyl 1-[5-(propan-2-yl)-8-thia-46-diazatricyclo[7.5.0.0^{27}]tetradeca-1(9)2(7)35-tetraen-3-yl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1c1c(c(CCCCC2)c2s2)c2nc(C(C)C)n1)=O

InChI

InChI=1S/C22H31N3O2S/c1-4-27-22(26)15-10-12-25(13-11-15)20-18-16-8-6-5-7-9-17(16)28-21(18)24-19(23-20)14(2)3/h14-15H,4-13H2,1-3H3

InChI Key

NNQFATDAIBXAPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19852663

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

401.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.039

Distribution Coefficient, logD

5.543

Water Solubility, LogSw

-5.34

Polar Surface Area

44.305

Acid Dissociation Constant (pKa)

20.75

Base Dissociation Constant (pKb)

7.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.20

V009-0676 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with V009-0676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-0676?
Check Price and Availability of V009-0676, 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 V009-0676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-0676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-0676
  • 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 V009-0676 available by request