E948-0778 Screening compound: 6-methyl-N-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)-4-(morpholin-4-yl)furo[2,3-d]pyrimidine-5-carboxamide

E948-0778 Screening compound: 6-methyl-N-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)-4-(morpholin-4-yl)furo[2,3-d]pyrimidine-5-carboxamide
E948-0778 Screening compound: 6-methyl-N-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)-4-(morpholin-4-yl)furo[2,3-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E948-0778
6-methyl-N-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)-4-(morpholin-4-yl)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

E948-0778

Molecular Formula

C25H31N5O3 (C25 H31 N5 O3)

Compound Name

6-methyl-N-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)-4-(morpholin-4-yl)furo[2,3-d]pyrimidine-5-carboxamide

IUPAC name

6-methyl-N-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)-4-(morpholin-4-yl)furo[23-d]pyrimidine-5-carboxamide

SMILES

Cc1c(C(NCC2CN(Cc3ccc(C)cc3)CC2)=O)c2c(N3CCOCC3)ncnc2o1

InChI

InChI=1S/C25H31N5O3/c1-17-3-5-19(6-4-17)14-29-8-7-20(15-29)13-26-24(31)21-18(2)33-25-22(21)23(27-16-28-25)30-9-11-32-12-10-30/h3-6,16,20H,7-15H2,1-2H3,(H,26,31)/t20-/m1/s1

InChI Key

FSKZZUDILBOELF-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14930013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.657

Distribution Coefficient, logD

-1.073

Water Solubility, LogSw

-3.02

Polar Surface Area

67.908

Acid Dissociation Constant (pKa)

15.70

Base Dissociation Constant (pKb)

11.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

E948-0778 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

PI3K-Targeted Library (17255 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E948-0778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E948-0778?
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What is the minimum amount of E948-0778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E948-0778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E948-0778
  • 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 E948-0778 available by request