8018-4579 Screening compound: 6-methyl-5-({4-[2-(4-pyridyl)ethyl]piperazino}sulfonyl)-2,4(1H,3H)-pyrimidinedione

8018-4579 Screening compound: 6-methyl-5-({4-[2-(4-pyridyl)ethyl]piperazino}sulfonyl)-2,4(1H,3H)-pyrimidinedione
8018-4579 Screening compound: 6-methyl-5-({4-[2-(4-pyridyl)ethyl]piperazino}sulfonyl)-2,4(1H,3H)-pyrimidinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4579
6-methyl-5-({4-[2-(4-pyridyl)ethyl]piperazino}sulfonyl)-2,4(1H,3H)-pyrimidinedione

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

8018-4579

Molecular Formula

C16H21N5O4S (C16 H21 N5 O4 S)

Compound Name

6-methyl-5-({4-[2-(4-pyridyl)ethyl]piperazino}sulfonyl)-2,4(1H,3H)-pyrimidinedione

IUPAC name

6-methyl-5-({4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}sulfonyl)-1234-tetrahydropyrimidine-24-dione

SMILES

CC(NC(NC1=O)=O)=C1S(N1CCN(CCc2ccncc2)CC1)(=O)=O

InChI

InChI=1S/C16H21N5O4S/c1-12-14(15(22)19-16(23)18-12)26(24,25)21-10-8-20(9-11-21)7-4-13-2-5-17-6-3-13/h2-3,5-6H,4,7-11H2,1H3,(H2,18,19,22,23)

InChI Key

GZQMBCFXQCFHKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617489

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

379.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.979

Distribution Coefficient, logD

-3.747

Water Solubility, LogSw

-1.81

Polar Surface Area

93.431

Acid Dissociation Constant (pKa)

4.63

Base Dissociation Constant (pKb)

6.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.75

References: we are preparing a list of scientific research reports with 8018-4579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4579?
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What is the minimum amount of 8018-4579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4579
  • 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 8018-4579 available by request