M597-0115 Screening compound: N-[1-(3,4-dimethoxyphenyl)ethyl]-4-[2-(pyrrolidin-1-yl)pyrimidin-4-yl]benzamide

M597-0115 Screening compound: N-[1-(3,4-dimethoxyphenyl)ethyl]-4-[2-(pyrrolidin-1-yl)pyrimidin-4-yl]benzamide
M597-0115 Screening compound: N-[1-(3,4-dimethoxyphenyl)ethyl]-4-[2-(pyrrolidin-1-yl)pyrimidin-4-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M597-0115
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-[2-(pyrrolidin-1-yl)pyrimidin-4-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

M597-0115

Molecular Formula

C25H28N4O3 (C25 H28 N4 O3)

Compound Name

N-[1-(3,4-dimethoxyphenyl)ethyl]-4-[2-(pyrrolidin-1-yl)pyrimidin-4-yl]benzamide

IUPAC name

N-[1-(34-dimethoxyphenyl)ethyl]-4-[2-(pyrrolidin-1-yl)pyrimidin-4-yl]benzamide

SMILES

CC(c(cc1)cc(OC)c1OC)NC(c(cc1)ccc1-c1nc(N2CCCC2)ncc1)=O

InChI

InChI=1S/C25H28N4O3/c1-17(20-10-11-22(31-2)23(16-20)32-3)27-24(30)19-8-6-18(7-9-19)21-12-13-26-25(28-21)29-14-4-5-15-29/h6-13,16-17H,4-5,14-15H2,1-3H3,(H,27,30)/t17-/m0/s1

InChI Key

LEVCFUZJVDQCGZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27642460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.267

Distribution Coefficient, logD

4.267

Water Solubility, LogSw

-4.26

Polar Surface Area

60.553

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

M597-0115 in Drug Discovery

Included in Screening Libraries

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M597-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M597-0115?
Check Price and Availability of M597-0115, 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 M597-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M597-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M597-0115
  • 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 M597-0115 available by request