M597-0111 Screening compound: N~1~-phenyl-4-[2-(1-pyrrolidinyl)-4-pyrimidinyl]benzamide

M597-0111 Screening compound: N~1~-phenyl-4-[2-(1-pyrrolidinyl)-4-pyrimidinyl]benzamide
M597-0111 Screening compound: N~1~-phenyl-4-[2-(1-pyrrolidinyl)-4-pyrimidinyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M597-0111
N~1~-phenyl-4-[2-(1-pyrrolidinyl)-4-pyrimidinyl]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

M597-0111

Molecular Formula

C21H20N4O (C21 H20 N4 O)

Compound Name

N~1~-phenyl-4-[2-(1-pyrrolidinyl)-4-pyrimidinyl]benzamide

IUPAC name

N-phenyl-4-[2-(pyrrolidin-1-yl)pyrimidin-4-yl]benzamide

SMILES

O=C(c(cc1)ccc1-c1nc(N2CCCC2)ncc1)Nc1ccccc1

InChI

InChI=1S/C21H20N4O/c26-20(23-18-6-2-1-3-7-18)17-10-8-16(9-11-17)19-12-13-22-21(24-19)25-14-4-5-15-25/h1-3,6-13H,4-5,14-15H2,(H,23,26)

InChI Key

VVSCRVFHNCHXGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27548699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.320

Distribution Coefficient, logD

4.320

Water Solubility, LogSw

-4.26

Polar Surface Area

44.807

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.05

M597-0111 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with M597-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M597-0111?
Check Price and Availability of M597-0111, 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 M597-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M597-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M597-0111
  • 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 M597-0111 available by request