M628-0341 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(piperidin-1-yl)quinazoline-6-carboxamide

M628-0341 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(piperidin-1-yl)quinazoline-6-carboxamide
M628-0341 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(piperidin-1-yl)quinazoline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M628-0341
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(piperidin-1-yl)quinazoline-6-carboxamide

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

M628-0341

Molecular Formula

C22H22N4O3 (C22 H22 N4 O3)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(piperidin-1-yl)quinazoline-6-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-(piperidin-1-yl)quinazoline-6-carboxamide

SMILES

O=C(c1cc2c(N3CCCCC3)ncnc2cc1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C22H22N4O3/c27-22(23-12-15-4-7-19-20(10-15)29-14-28-19)16-5-6-18-17(11-16)21(25-13-24-18)26-8-2-1-3-9-26/h4-7,10-11,13H,1-3,8-9,12,14H2,(H,23,27)

InChI Key

BVOBXYZJYCTKKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27549737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.824

Distribution Coefficient, logD

3.823

Water Solubility, LogSw

-4.07

Polar Surface Area

64.678

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

M628-0341 in Drug Discovery

Included in Screening Libraries

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

Hsp90-Targeted Library (11355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with M628-0341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M628-0341?
Check Price and Availability of M628-0341, 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 M628-0341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M628-0341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M628-0341
  • 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 M628-0341 available by request