7487-0126 Screening compound: ethyl 6-[(2,3-dihydro-1H-indol-1-yl)methyl]-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

7487-0126 Screening compound: ethyl 6-[(2,3-dihydro-1H-indol-1-yl)methyl]-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
7487-0126 Screening compound: ethyl 6-[(2,3-dihydro-1H-indol-1-yl)methyl]-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7487-0126
ethyl 6-[(2,3-dihydro-1H-indol-1-yl)methyl]-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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

7487-0126

Molecular Formula

C24H27N3O3 (C24 H27 N3 O3)

Compound Name

ethyl 6-[(2,3-dihydro-1H-indol-1-yl)methyl]-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 6-[(23-dihydro-1H-indol-1-yl)methyl]-4-(25-dimethylphenyl)-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1c(C)ccc(C)c1)N1)=C(CN(CC2)c3c2cccc3)NC1=O)=O

InChI

InChI=1S/C24H27N3O3/c1-4-30-23(28)21-19(14-27-12-11-17-7-5-6-8-20(17)27)25-24(29)26-22(21)18-13-15(2)9-10-16(18)3/h5-10,13,22H,4,11-12,14H2,1-3H3,(H2,25,26,29)/t22-/m1/s1

InChI Key

OAZUYVHBKGGAJN-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD05257640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.185

Distribution Coefficient, logD

4.185

Water Solubility, LogSw

-4.12

Polar Surface Area

59.981

Acid Dissociation Constant (pKa)

5.32

Base Dissociation Constant (pKb)

7.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

7487-0126 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7487-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7487-0126?
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What is the minimum amount of 7487-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7487-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7487-0126
  • 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 7487-0126 available by request