E947-0461 Screening compound: 5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6-methyl-3-(2-methylpropyl)-3H,4H-furo[2,3-d]pyrimidin-4-one

E947-0461 Screening compound: 5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6-methyl-3-(2-methylpropyl)-3H,4H-furo[2,3-d]pyrimidin-4-one
E947-0461 Screening compound: 5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6-methyl-3-(2-methylpropyl)-3H,4H-furo[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E947-0461
5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6-methyl-3-(2-methylpropyl)-3H,4H-furo[2,3-d]pyrimidin-4-one

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

E947-0461

Molecular Formula

C22H25ClN4O3 (C22 H25 ClN4 O3)

Compound Name

5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6-methyl-3-(2-methylpropyl)-3H,4H-furo[2,3-d]pyrimidin-4-one

IUPAC name

5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6-methyl-3-(2-methylpropyl)-3H4H-furo[23-d]pyrimidin-4-one

SMILES

CC(C)CN(C=Nc1c2c(C(N(CC3)CCN3c3cccc(Cl)c3)=O)c(C)o1)C2=O

InChI

InChI=1S/C22H25ClN4O3/c1-14(2)12-27-13-24-20-19(22(27)29)18(15(3)30-20)21(28)26-9-7-25(8-10-26)17-6-4-5-16(23)11-17/h4-6,11,13-14H,7-10,12H2,1-3H3

InChI Key

DFDLIKWCOHXTFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27093845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.103

Distribution Coefficient, logD

3.103

Water Solubility, LogSw

-3.67

Polar Surface Area

53.902

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

E947-0461 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E947-0461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E947-0461?
Check Price and Availability of E947-0461, 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 E947-0461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E947-0461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E947-0461
  • 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 E947-0461 available by request