V001-1031 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)cyclobutanecarboxamide

V001-1031 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)cyclobutanecarboxamide
V001-1031 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-1031
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)cyclobutanecarboxamide

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

V001-1031

Molecular Formula

C30H33N5O5 (C30 H33 N5 O5)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)cyclobutanecarboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)cyclobutanecarboxamide

SMILES

COc1cccc(-c(cc2)nnc2N(CC2)CCN2C(CN(Cc(cc2)cc3c2OCO3)C(C2CCC2)=O)=O)c1

InChI

InChI=1S/C30H33N5O5/c1-38-24-7-3-6-23(17-24)25-9-11-28(32-31-25)33-12-14-34(15-13-33)29(36)19-35(30(37)22-4-2-5-22)18-21-8-10-26-27(16-21)40-20-39-26/h3,6-11,16-17,22H,2,4-5,12-15,18-20H2,1H3

InChI Key

GPVCZXLCHLGESI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19839528

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

543.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.162

Distribution Coefficient, logD

3.050

Water Solubility, LogSw

-3.06

Polar Surface Area

81.948

Acid Dissociation Constant (pKa)

22.46

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

V001-1031 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V001-1031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-1031?
Check Price and Availability of V001-1031, 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 V001-1031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-1031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-1031
  • 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 V001-1031 available by request