E946-0239 Screening compound: ethyl 4-[bis(2-methylpropyl)amino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate

E946-0239 Screening compound: ethyl 4-[bis(2-methylpropyl)amino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
E946-0239 Screening compound: ethyl 4-[bis(2-methylpropyl)amino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E946-0239
ethyl 4-[bis(2-methylpropyl)amino]-6-methylfuro[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

E946-0239

Molecular Formula

C18H27N3O3 (C18 H27 N3 O3)

Compound Name

ethyl 4-[bis(2-methylpropyl)amino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate

IUPAC name

ethyl 4-[bis(2-methylpropyl)amino]-6-methylfuro[23-d]pyrimidine-5-carboxylate

SMILES

CCOC(c1c(C)oc2ncnc(N(CC(C)C)CC(C)C)c12)=O

InChI

InChI=1S/C18H27N3O3/c1-7-23-18(22)14-13(6)24-17-15(14)16(19-10-20-17)21(8-11(2)3)9-12(4)5/h10-12H,7-9H2,1-6H3

InChI Key

SOHJGBWGCINALI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14929424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.447

Distribution Coefficient, logD

4.447

Water Solubility, LogSw

-4.52

Polar Surface Area

52.142

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

E946-0239 in Drug Discovery

Included in Screening Libraries

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

Nucleoside Mimetics Library (2197 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E946-0239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E946-0239?
Check Price and Availability of E946-0239, 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 E946-0239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E946-0239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E946-0239
  • 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 E946-0239 available by request