8020-1496 Screening compound: 1,3-dimethyl-5-(4-methylbenzoyl)-6-[(piperidin-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

8020-1496 Screening compound: 1,3-dimethyl-5-(4-methylbenzoyl)-6-[(piperidin-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
8020-1496 Screening compound: 1,3-dimethyl-5-(4-methylbenzoyl)-6-[(piperidin-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1496
1,3-dimethyl-5-(4-methylbenzoyl)-6-[(piperidin-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

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

8020-1496

Molecular Formula

C20H25N3O3 (C20 H25 N3 O3)

Compound Name

1,3-dimethyl-5-(4-methylbenzoyl)-6-[(piperidin-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

13-dimethyl-5-(4-methylbenzoyl)-6-[(piperidin-1-yl)methyl]-1234-tetrahydropyrimidine-24-dione

SMILES

Cc(cc1)ccc1C(C(C(N1C)=O)=C(CN2CCCCC2)N(C)C1=O)=O

InChI

InChI=1S/C20H25N3O3/c1-14-7-9-15(10-8-14)18(24)17-16(13-23-11-5-4-6-12-23)21(2)20(26)22(3)19(17)25/h7-10H,4-6,11-13H2,1-3H3

InChI Key

ZRDIZKMTDSVJSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12035277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.622

Distribution Coefficient, logD

1.695

Water Solubility, LogSw

-2.83

Polar Surface Area

49.403

Acid Dissociation Constant (pKa)

27.74

Base Dissociation Constant (pKb)

8.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

8020-1496 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8020-1496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1496?
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What is the minimum amount of 8020-1496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1496
  • 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 8020-1496 available by request