V017-3782 Screening compound: 2-methyl-1-[4-(2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino]-1-propanone

V017-3782 Screening compound: 2-methyl-1-[4-(2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino]-1-propanone
V017-3782 Screening compound: 2-methyl-1-[4-(2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino]-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-3782
2-methyl-1-[4-(2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino]-1-propanone

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

V017-3782

Molecular Formula

C22H32N4OS (C22 H32 N4 OS)

Compound Name

2-methyl-1-[4-(2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino]-1-propanone

IUPAC name

2-methyl-1-(4-{5-propyl-8-thia-46-diazatricyclo[7.5.0.0^{27}]tetradeca-1(9)2(7)35-tetraen-3-yl}piperazin-1-yl)propan-1-one

SMILES

CCCc1nc(N(CC2)CCN2C(C(C)C)=O)c(c(CCCCC2)c2s2)c2n1

InChI

InChI=1S/C22H32N4OS/c1-4-8-18-23-20(25-11-13-26(14-12-25)22(27)15(2)3)19-16-9-6-5-7-10-17(16)28-21(19)24-18/h15H,4-14H2,1-3H3

InChI Key

WMDLGVQSWMCIHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19852484

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

400.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.716

Distribution Coefficient, logD

5.212

Water Solubility, LogSw

-5.40

Polar Surface Area

41.270

Acid Dissociation Constant (pKa)

22.62

Base Dissociation Constant (pKb)

7.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.20

V017-3782 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V017-3782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-3782?
Check Price and Availability of V017-3782, 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 V017-3782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-3782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-3782
  • 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 V017-3782 available by request