G516-0075 Screening compound: 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(4-methoxyphenyl)quinazoline

G516-0075 Screening compound: 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(4-methoxyphenyl)quinazoline
G516-0075 Screening compound: 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(4-methoxyphenyl)quinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound G516-0075
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(4-methoxyphenyl)quinazoline

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

G516-0075

Molecular Formula

C27H26N4O3 (C27 H26 N4 O3)

Compound Name

4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(4-methoxyphenyl)quinazoline

IUPAC name

4-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(4-methoxyphenyl)quinazoline

SMILES

COc(cc1)ccc1-c1nc2ccccc2c(N2CCN(Cc(cc3)cc4c3OCO4)CC2)n1

InChI

InChI=1S/C27H26N4O3/c1-32-21-9-7-20(8-10-21)26-28-23-5-3-2-4-22(23)27(29-26)31-14-12-30(13-15-31)17-19-6-11-24-25(16-19)34-18-33-24/h2-11,16H,12-15,17-18H2,1H3

InChI Key

MXDUQSOXADMRAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15015018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.53

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

5.802

Distribution Coefficient, logD

5.198

Water Solubility, LogSw

-5.95

Polar Surface Area

49.838

Acid Dissociation Constant (pKa)

22.11

Base Dissociation Constant (pKb)

7.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

G516-0075 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system

References: we are preparing a list of scientific research reports with G516-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G516-0075?
Check Price and Availability of G516-0075, 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 G516-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G516-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G516-0075
  • 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 G516-0075 available by request