E947-0511 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-6-methyl-3-(2-methylpropyl)-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide

E947-0511 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-6-methyl-3-(2-methylpropyl)-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide
E947-0511 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-6-methyl-3-(2-methylpropyl)-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E947-0511
N-(4-chloro-2-methoxy-5-methylphenyl)-6-methyl-3-(2-methylpropyl)-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide

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

E947-0511

Molecular Formula

C20H22ClN3O4 (C20 H22 ClN3 O4)

Compound Name

N-(4-chloro-2-methoxy-5-methylphenyl)-6-methyl-3-(2-methylpropyl)-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide

IUPAC name

N-(4-chloro-2-methoxy-5-methylphenyl)-6-methyl-3-(2-methylpropyl)-4-oxo-3H4H-furo[23-d]pyrimidine-5-carboxamide

SMILES

CC(C)CN(C=Nc1c2c(C(Nc(c(OC)c3)cc(C)c3Cl)=O)c(C)o1)C2=O

InChI

InChI=1S/C20H22ClN3O4/c1-10(2)8-24-9-22-19-17(20(24)26)16(12(4)28-19)18(25)23-14-6-11(3)13(21)7-15(14)27-5/h6-7,9-10H,8H2,1-5H3,(H,23,25)

InChI Key

NQGQAEXATCTKLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27093880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.87

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.884

Distribution Coefficient, logD

3.774

Water Solubility, LogSw

-4.56

Polar Surface Area

64.017

Acid Dissociation Constant (pKa)

7.94

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

E947-0511 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

PI3K-Targeted Library (17255 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E947-0511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E947-0511?
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What is the minimum amount of E947-0511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E947-0511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E947-0511
  • 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 E947-0511 available by request