8015-8692 Screening compound: ethyl 6-[(cyclohexylamino)methyl]-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

8015-8692 Screening compound: ethyl 6-[(cyclohexylamino)methyl]-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
8015-8692 Screening compound: ethyl 6-[(cyclohexylamino)methyl]-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-8692
ethyl 6-[(cyclohexylamino)methyl]-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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

8015-8692

Molecular Formula

C22H31N3O3 (C22 H31 N3 O3)

Compound Name

ethyl 6-[(cyclohexylamino)methyl]-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

ethyl 6-[(cyclohexylamino)methyl]-4-(25-dimethylphenyl)-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1c(C)ccc(C)c1)N1)=C(CNC2CCCCC2)NC1=O)=O

InChI

InChI=1S/C22H31N3O3/c1-4-28-21(26)19-18(13-23-16-8-6-5-7-9-16)24-22(27)25-20(19)17-12-14(2)10-11-15(17)3/h10-12,16,20,23H,4-9,13H2,1-3H3,(H2,24,25,27)/t20-/m1/s1

InChI Key

IZXVKZHCBULOQX-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD05258829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.743

Distribution Coefficient, logD

-0.739

Water Solubility, LogSw

-3.74

Polar Surface Area

68.334

Acid Dissociation Constant (pKa)

6.74

Base Dissociation Constant (pKb)

12.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

8015-8692 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8015-8692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-8692?
Check Price and Availability of 8015-8692, 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 8015-8692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-8692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-8692
  • 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 8015-8692 available by request