E947-0729 Screening compound: N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-6-methyl-3-(2-methylpropyl)-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide

E947-0729 Screening compound: N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-6-methyl-3-(2-methylpropyl)-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide
E947-0729 Screening compound: N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-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 E947-0729
N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-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

E947-0729

Molecular Formula

C27H37N5O3 (C27 H37 N5 O3)

Compound Name

N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-6-methyl-3-(2-methylpropyl)-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide

IUPAC name

N-{3-[4-(25-dimethylphenyl)piperazin-1-yl]propyl}-6-methyl-3-(2-methylpropyl)-4-oxo-3H4H-furo[23-d]pyrimidine-5-carboxamide

SMILES

CC(C)CN(C=Nc1c2c(C(NCCCN(CC3)CCN3c3c(C)ccc(C)c3)=O)c(C)o1)C2=O

InChI

InChI=1S/C27H37N5O3/c1-18(2)16-32-17-29-26-24(27(32)34)23(21(5)35-26)25(33)28-9-6-10-30-11-13-31(14-12-30)22-15-19(3)7-8-20(22)4/h7-8,15,17-18H,6,9-14,16H2,1-5H3,(H,28,33)

InChI Key

QSCNUJZGFUSUEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27093993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.358

Distribution Coefficient, logD

2.212

Water Solubility, LogSw

-3.59

Polar Surface Area

65.190

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

8.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.90

E947-0729 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E947-0729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E947-0729?
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What is the minimum amount of E947-0729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E947-0729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E947-0729
  • 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 E947-0729 available by request