E946-0628 Screening compound: ethyl 2,6-dimethyl-4-[(1,2,3,4-tetrahydronaphthalen-1-yl)amino]furo[2,3-d]pyrimidine-5-carboxylate

E946-0628 Screening compound: ethyl 2,6-dimethyl-4-[(1,2,3,4-tetrahydronaphthalen-1-yl)amino]furo[2,3-d]pyrimidine-5-carboxylate
E946-0628 Screening compound: ethyl 2,6-dimethyl-4-[(1,2,3,4-tetrahydronaphthalen-1-yl)amino]furo[2,3-d]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E946-0628
ethyl 2,6-dimethyl-4-[(1,2,3,4-tetrahydronaphthalen-1-yl)amino]furo[2,3-d]pyrimidine-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

E946-0628

Molecular Formula

C21H23N3O3 (C21 H23 N3 O3)

Compound Name

ethyl 2,6-dimethyl-4-[(1,2,3,4-tetrahydronaphthalen-1-yl)amino]furo[2,3-d]pyrimidine-5-carboxylate

IUPAC name

ethyl 26-dimethyl-4-[(1234-tetrahydronaphthalen-1-yl)amino]furo[23-d]pyrimidine-5-carboxylate

SMILES

CCOC(c1c(C)oc2nc(C)nc(NC(CCC3)c4c3cccc4)c12)=O

InChI

InChI=1S/C21H23N3O3/c1-4-26-21(25)17-12(2)27-20-18(17)19(22-13(3)23-20)24-16-11-7-9-14-8-5-6-10-15(14)16/h5-6,8,10,16H,4,7,9,11H2,1-3H3,(H,22,23,24)/t16-/m0/s1

InChI Key

YWXWYIQTOYVHPU-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14929580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.254

Distribution Coefficient, logD

4.254

Water Solubility, LogSw

-4.50

Polar Surface Area

58.015

Acid Dissociation Constant (pKa)

13.96

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

E946-0628 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Cardiovascular Library (22201 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • 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 E946-0628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E946-0628?
Check Price and Availability of E946-0628, 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 E946-0628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E946-0628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E946-0628
  • 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 E946-0628 available by request