V006-0606 Screening compound: 3-[1-(2H-1,3-benzodioxol-5-yl)-1H,4H,5H-benzo[g]indol-2-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one

V006-0606 Screening compound: 3-[1-(2H-1,3-benzodioxol-5-yl)-1H,4H,5H-benzo[g]indol-2-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
V006-0606 Screening compound: 3-[1-(2H-1,3-benzodioxol-5-yl)-1H,4H,5H-benzo[g]indol-2-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-0606
3-[1-(2H-1,3-benzodioxol-5-yl)-1H,4H,5H-benzo[g]indol-2-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one

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

V006-0606

Molecular Formula

C32H31N3O3 (C32 H31 N3 O3)

Compound Name

3-[1-(2H-1,3-benzodioxol-5-yl)-1H,4H,5H-benzo[g]indol-2-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one

IUPAC name

3-[1-(2H-13-benzodioxol-5-yl)-1H4H5H-benzo[g]indol-2-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one

SMILES

O=C(CCc1cc(CCc2c-3cccc2)c3n1-c(cc1)cc2c1OCO2)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C32H31N3O3/c36-31(34-18-16-33(17-19-34)25-7-2-1-3-8-25)15-13-26-20-24-11-10-23-6-4-5-9-28(23)32(24)35(26)27-12-14-29-30(21-27)38-22-37-29/h1-9,12,14,20-21H,10-11,13,15-19,22H2

InChI Key

YRJLQVBBIJZMSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19971428

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

505.62

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.817

Distribution Coefficient, logD

5.817

Water Solubility, LogSw

-5.93

Polar Surface Area

38.200

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.13

V006-0606 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V006-0606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-0606?
Check Price and Availability of V006-0606, 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 V006-0606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-0606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-0606
  • 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 V006-0606 available by request