M631-1070 Screening compound: N-({4-[4-(pyridin-2-yl)piperazin-1-yl]phenyl}methyl)furan-3-carboxamide

M631-1070 Screening compound: N-({4-[4-(pyridin-2-yl)piperazin-1-yl]phenyl}methyl)furan-3-carboxamide
M631-1070 Screening compound: N-({4-[4-(pyridin-2-yl)piperazin-1-yl]phenyl}methyl)furan-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M631-1070
N-({4-[4-(pyridin-2-yl)piperazin-1-yl]phenyl}methyl)furan-3-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

M631-1070

Molecular Formula

C21H22N4O2 (C21 H22 N4 O2)

Compound Name

N-({4-[4-(pyridin-2-yl)piperazin-1-yl]phenyl}methyl)furan-3-carboxamide

IUPAC name

N-({4-[4-(pyridin-2-yl)piperazin-1-yl]phenyl}methyl)furan-3-carboxamide

SMILES

O=C(c1cocc1)NCc(cc1)ccc1N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C21H22N4O2/c26-21(18-8-14-27-16-18)23-15-17-4-6-19(7-5-17)24-10-12-25(13-11-24)20-3-1-2-9-22-20/h1-9,14,16H,10-13,15H2,(H,23,26)

InChI Key

CQNKKZGFIRKULN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27549807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.154

Distribution Coefficient, logD

3.149

Water Solubility, LogSw

-3.16

Polar Surface Area

47.679

Acid Dissociation Constant (pKa)

13.55

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

M631-1070 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

STING Agonist Library (5895 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with M631-1070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M631-1070?
Check Price and Availability of M631-1070, 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 M631-1070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M631-1070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M631-1070
  • 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 M631-1070 available by request