M597-0098 Screening compound: 4-[4-(4-butylpiperazine-1-carbonyl)phenyl]-2-(pyrrolidin-1-yl)pyrimidine

M597-0098 Screening compound: 4-[4-(4-butylpiperazine-1-carbonyl)phenyl]-2-(pyrrolidin-1-yl)pyrimidine
M597-0098 Screening compound: 4-[4-(4-butylpiperazine-1-carbonyl)phenyl]-2-(pyrrolidin-1-yl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound M597-0098
4-[4-(4-butylpiperazine-1-carbonyl)phenyl]-2-(pyrrolidin-1-yl)pyrimidine

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

M597-0098

Molecular Formula

C23H31N5O (C23 H31 N5 O)

Compound Name

4-[4-(4-butylpiperazine-1-carbonyl)phenyl]-2-(pyrrolidin-1-yl)pyrimidine

IUPAC name

4-[4-(4-butylpiperazine-1-carbonyl)phenyl]-2-(pyrrolidin-1-yl)pyrimidine

SMILES

CCCCN(CC1)CCN1C(c(cc1)ccc1-c1nc(N2CCCC2)ncc1)=O

InChI

InChI=1S/C23H31N5O/c1-2-3-12-26-15-17-27(18-16-26)22(29)20-8-6-19(7-9-20)21-10-11-24-23(25-21)28-13-4-5-14-28/h6-11H,2-5,12-18H2,1H3

InChI Key

WFIDQCQHHKPBBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27548697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.741

Distribution Coefficient, logD

3.574

Water Solubility, LogSw

-3.71

Polar Surface Area

42.154

Acid Dissociation Constant (pKa)

19.71

Base Dissociation Constant (pKb)

7.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

M597-0098 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular

References: we are preparing a list of scientific research reports with M597-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M597-0098?
Check Price and Availability of M597-0098, 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 M597-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M597-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M597-0098
  • 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 M597-0098 available by request