8018-0971 Screening compound: 6-methyl-2,4-dioxo-N-{3-[2-(pyridin-2-yl)ethyl]phenyl}-1,2,3,4-tetrahydropyrimidine-5-sulfonamide

8018-0971 Screening compound: 6-methyl-2,4-dioxo-N-{3-[2-(pyridin-2-yl)ethyl]phenyl}-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
8018-0971 Screening compound: 6-methyl-2,4-dioxo-N-{3-[2-(pyridin-2-yl)ethyl]phenyl}-1,2,3,4-tetrahydropyrimidine-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0971
6-methyl-2,4-dioxo-N-{3-[2-(pyridin-2-yl)ethyl]phenyl}-1,2,3,4-tetrahydropyrimidine-5-sulfonamide

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

8018-0971

Molecular Formula

C18H18N4O4S (C18 H18 N4 O4 S)

Compound Name

6-methyl-2,4-dioxo-N-{3-[2-(pyridin-2-yl)ethyl]phenyl}-1,2,3,4-tetrahydropyrimidine-5-sulfonamide

IUPAC name

6-methyl-24-dioxo-N-{3-[2-(pyridin-2-yl)ethyl]phenyl}-1234-tetrahydropyrimidine-5-sulfonamide

SMILES

CC(NC(NC1=O)=O)=C1S(Nc1cc(CCc2ncccc2)ccc1)(=O)=O

InChI

InChI=1S/C18H18N4O4S/c1-12-16(17(23)21-18(24)20-12)27(25,26)22-15-7-4-5-13(11-15)8-9-14-6-2-3-10-19-14/h2-7,10-11,22H,8-9H2,1H3,(H2,20,21,23,24)

InChI Key

ZRWMUJVZGIRTQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07022540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.390

Distribution Coefficient, logD

-1.079

Water Solubility, LogSw

-2.56

Polar Surface Area

98.694

Acid Dissociation Constant (pKa)

4.93

Base Dissociation Constant (pKb)

5.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

8018-0971 in Drug Discovery

Included in Screening Libraries

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

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8018-0971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0971?
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What is the minimum amount of 8018-0971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0971
  • 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 8018-0971 available by request