7682-0079 Screening compound: ethyl 2-[4-(diphenylmethyl)piperazin-1-yl]-6-(furan-2-yl)-4-oxo-1,4,5,6-tetrahydropyrimidine-5-carboxylate

7682-0079 Screening compound: ethyl 2-[4-(diphenylmethyl)piperazin-1-yl]-6-(furan-2-yl)-4-oxo-1,4,5,6-tetrahydropyrimidine-5-carboxylate
7682-0079 Screening compound: ethyl 2-[4-(diphenylmethyl)piperazin-1-yl]-6-(furan-2-yl)-4-oxo-1,4,5,6-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7682-0079
ethyl 2-[4-(diphenylmethyl)piperazin-1-yl]-6-(furan-2-yl)-4-oxo-1,4,5,6-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

7682-0079

Molecular Formula

C28H30N4O4 (C28 H30 N4 O4)

Compound Name

ethyl 2-[4-(diphenylmethyl)piperazin-1-yl]-6-(furan-2-yl)-4-oxo-1,4,5,6-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 2-[4-(diphenylmethyl)piperazin-1-yl]-6-(furan-2-yl)-4-oxo-1456-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1ccco1)NC(N(CC1)CCN1C(c1ccccc1)c1ccccc1)=N1)C1=O)=O

InChI

InChI=1S/C28H30N4O4/c1-2-35-27(34)23-24(22-14-9-19-36-22)29-28(30-26(23)33)32-17-15-31(16-18-32)25(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-14,19,23-25H,2,15-18H2,1H3,(H,29,30,33)

InChI Key

NWBCSWZYBNKOGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06192145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.781

Distribution Coefficient, logD

-1.191

Water Solubility, LogSw

-3.81

Polar Surface Area

70.563

Acid Dissociation Constant (pKa)

4.60

Base Dissociation Constant (pKb)

9.99

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.10

7682-0079 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

DGK Inhibitors Library (10558 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7682-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7682-0079?
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What is the minimum amount of 7682-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7682-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7682-0079
  • 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 7682-0079 available by request