M381-2971 Screening compound: 4-cyano-N-[4-(piperidin-1-yl)quinazolin-6-yl]benzamide

M381-2971 Screening compound: 4-cyano-N-[4-(piperidin-1-yl)quinazolin-6-yl]benzamide
M381-2971 Screening compound: 4-cyano-N-[4-(piperidin-1-yl)quinazolin-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M381-2971
4-cyano-N-[4-(piperidin-1-yl)quinazolin-6-yl]benzamide

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

M381-2971

Molecular Formula

C21H19N5O (C21 H19 N5 O)

Compound Name

4-cyano-N-[4-(piperidin-1-yl)quinazolin-6-yl]benzamide

IUPAC name

4-cyano-N-[4-(piperidin-1-yl)quinazolin-6-yl]benzamide

SMILES

N#Cc(cc1)ccc1C(Nc1cc2c(N3CCCCC3)ncnc2cc1)=O

InChI

InChI=1S/C21H19N5O/c22-13-15-4-6-16(7-5-15)21(27)25-17-8-9-19-18(12-17)20(24-14-23-19)26-10-2-1-3-11-26/h4-9,12,14H,1-3,10-11H2,(H,25,27)

InChI Key

QGYNXQJEMGWOTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27539865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.899

Distribution Coefficient, logD

3.895

Water Solubility, LogSw

-4.13

Polar Surface Area

63.296

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

M381-2971 in Drug Discovery

Included in Screening Libraries

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

Hsp90-Targeted Library (11355 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M381-2971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M381-2971?
Check Price and Availability of M381-2971, 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 M381-2971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M381-2971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M381-2971
  • 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 M381-2971 available by request