V001-5406 Screening compound: 3,3-dimethyl-1-[4-(2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino]-1-butanone

V001-5406 Screening compound: 3,3-dimethyl-1-[4-(2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino]-1-butanone
V001-5406 Screening compound: 3,3-dimethyl-1-[4-(2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino]-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-5406
3,3-dimethyl-1-[4-(2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino]-1-butanone

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

V001-5406

Molecular Formula

C24H36N4OS (C24 H36 N4 OS)

Compound Name

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

IUPAC name

33-dimethyl-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)butan-1-one

SMILES

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

InChI

InChI=1S/C24H36N4OS/c1-5-9-19-25-22(21-17-10-7-6-8-11-18(17)30-23(21)26-19)28-14-12-27(13-15-28)20(29)16-24(2,3)4/h5-16H2,1-4H3

InChI Key

AQKWVSWOYKHZDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19852490

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

428.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.541

Distribution Coefficient, logD

6.038

Water Solubility, LogSw

-5.73

Polar Surface Area

40.742

Acid Dissociation Constant (pKa)

22.62

Base Dissociation Constant (pKb)

7.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.80

V001-5406 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 V001-5406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-5406?
Check Price and Availability of V001-5406, 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 V001-5406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-5406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-5406
  • 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 V001-5406 available by request