E948-0259 Screening compound: methyl 6-[6-methyl-4-(piperidin-1-yl)furo[2,3-d]pyrimidine-5-amido]-2H-1,3-benzodioxole-5-carboxylate

E948-0259 Screening compound: methyl 6-[6-methyl-4-(piperidin-1-yl)furo[2,3-d]pyrimidine-5-amido]-2H-1,3-benzodioxole-5-carboxylate
E948-0259 Screening compound: methyl 6-[6-methyl-4-(piperidin-1-yl)furo[2,3-d]pyrimidine-5-amido]-2H-1,3-benzodioxole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E948-0259
methyl 6-[6-methyl-4-(piperidin-1-yl)furo[2,3-d]pyrimidine-5-amido]-2H-1,3-benzodioxole-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

E948-0259

Molecular Formula

C22H22N4O6 (C22 H22 N4 O6)

Compound Name

methyl 6-[6-methyl-4-(piperidin-1-yl)furo[2,3-d]pyrimidine-5-amido]-2H-1,3-benzodioxole-5-carboxylate

IUPAC name

methyl 6-[6-methyl-4-(piperidin-1-yl)furo[23-d]pyrimidine-5-amido]-2H-13-benzodioxole-5-carboxylate

SMILES

Cc1c(C(Nc(cc2OCOc2c2)c2C(OC)=O)=O)c2c(N3CCCCC3)ncnc2o1

InChI

InChI=1S/C22H22N4O6/c1-12-17(18-19(23-10-24-21(18)32-12)26-6-4-3-5-7-26)20(27)25-14-9-16-15(30-11-31-16)8-13(14)22(28)29-2/h8-10H,3-7,11H2,1-2H3,(H,25,27)

InChI Key

UDGQRWUFHLOZMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14929790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.809

Distribution Coefficient, logD

3.649

Water Solubility, LogSw

-4.26

Polar Surface Area

92.237

Acid Dissociation Constant (pKa)

7.75

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

E948-0259 in Drug Discovery

Included in Screening Libraries

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

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 E948-0259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E948-0259?
Check Price and Availability of E948-0259, 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 E948-0259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E948-0259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E948-0259
  • 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 E948-0259 available by request