V001-2059 Screening compound: 1,3-benzodioxol-5-yl[4-(2-isobutyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino]methanone

V001-2059 Screening compound: 1,3-benzodioxol-5-yl[4-(2-isobutyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino]methanone
V001-2059 Screening compound: 1,3-benzodioxol-5-yl[4-(2-isobutyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-2059
1,3-benzodioxol-5-yl[4-(2-isobutyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino]methanone

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

V001-2059

Molecular Formula

C27H32N4O3S (C27 H32 N4 O3 S)

Compound Name

1,3-benzodioxol-5-yl[4-(2-isobutyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino]methanone

IUPAC name

3-[4-(2H-13-benzodioxole-5-carbonyl)piperazin-1-yl]-5-(2-methylpropyl)-8-thia-46-diazatricyclo[7.5.0.0^{27}]tetradeca-1(9)2(7)35-tetraene

SMILES

CC(C)Cc1nc(N(CC2)CCN2C(c(cc2)cc3c2OCO3)=O)c(c(CCCCC2)c2s2)c2n1

InChI

InChI=1S/C27H32N4O3S/c1-17(2)14-23-28-25(24-19-6-4-3-5-7-22(19)35-26(24)29-23)30-10-12-31(13-11-30)27(32)18-8-9-20-21(15-18)34-16-33-20/h8-9,15,17H,3-7,10-14,16H2,1-2H3

InChI Key

QLQMUMCKDCXMCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19852800

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

492.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.206

Distribution Coefficient, logD

5.622

Water Solubility, LogSw

-5.65

Polar Surface Area

58.114

Acid Dissociation Constant (pKa)

22.46

Base Dissociation Constant (pKb)

7.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.90

V001-2059 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 V001-2059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-2059?
Check Price and Availability of V001-2059, 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 V001-2059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-2059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-2059
  • 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 V001-2059 available by request