M381-2998 Screening compound: N-[4-(piperidin-1-yl)quinazolin-6-yl]-2H-1,3-benzodioxole-5-carboxamide

M381-2998 Screening compound: N-[4-(piperidin-1-yl)quinazolin-6-yl]-2H-1,3-benzodioxole-5-carboxamide
M381-2998 Screening compound: N-[4-(piperidin-1-yl)quinazolin-6-yl]-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M381-2998
N-[4-(piperidin-1-yl)quinazolin-6-yl]-2H-1,3-benzodioxole-5-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

M381-2998

Molecular Formula

C21H20N4O3 (C21 H20 N4 O3)

Compound Name

N-[4-(piperidin-1-yl)quinazolin-6-yl]-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-[4-(piperidin-1-yl)quinazolin-6-yl]-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)Nc1cc2c(N3CCCCC3)ncnc2cc1

InChI

InChI=1S/C21H20N4O3/c26-21(14-4-7-18-19(10-14)28-13-27-18)24-15-5-6-17-16(11-15)20(23-12-22-17)25-8-2-1-3-9-25/h4-7,10-12H,1-3,8-9,13H2,(H,24,26)

InChI Key

FTBDLAHTFQWQBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27539883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.167

Distribution Coefficient, logD

4.165

Water Solubility, LogSw

-4.22

Polar Surface Area

63.355

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

M381-2998 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M381-2998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M381-2998?
Check Price and Availability of M381-2998, 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 M381-2998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M381-2998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M381-2998
  • 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 M381-2998 available by request