7487-0113 Screening compound: ETHYL 6-[(1H-1,3-BENZODIAZOL-1-YL)METHYL]-4-(2,5-DIMETHYLPHENYL)-2-OXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE

7487-0113 Screening compound: ETHYL 6-[(1H-1,3-BENZODIAZOL-1-YL)METHYL]-4-(2,5-DIMETHYLPHENYL)-2-OXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
7487-0113 Screening compound: ETHYL 6-[(1H-1,3-BENZODIAZOL-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 7487-0113
ETHYL 6-[(1H-1,3-BENZODIAZOL-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

7487-0113

Molecular Formula

C23H24N4O3 (C23 H24 N4 O3)

Compound Name

ETHYL 6-[(1H-1,3-BENZODIAZOL-1-YL)METHYL]-4-(2,5-DIMETHYLPHENYL)-2-OXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE

IUPAC name

n/a

SMILES

CCOC(C(C(c1c(C)ccc(C)c1)N1)=C(Cn2c(cccc3)c3nc2)NC1=O)=O

InChI

InChI=1S/C23H24N4O3/c1-4-30-22(28)20-18(12-27-13-24-17-7-5-6-8-19(17)27)25-23(29)26-21(20)16-11-14(2)9-10-15(16)3/h5-11,13,21H,4,12H2,1-3H3,(H2,25,26,29)/t21-/m1/s1

InChI Key

PFTNYGXOEAEAID-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD05260501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.365

Distribution Coefficient, logD

2.962

Water Solubility, LogSw

-3.37

Polar Surface Area

67.237

Acid Dissociation Constant (pKa)

7.22

Base Dissociation Constant (pKb)

4.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

7487-0113 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 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
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 7487-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7487-0113?
Check Price and Availability of 7487-0113, 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 7487-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7487-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7487-0113
  • 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 7487-0113 available by request