E946-0591 Screening compound: ethyl 4-{[2-(3,4-diethoxyphenyl)ethyl]amino}-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate

E946-0591 Screening compound: ethyl 4-{[2-(3,4-diethoxyphenyl)ethyl]amino}-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
E946-0591 Screening compound: ethyl 4-{[2-(3,4-diethoxyphenyl)ethyl]amino}-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E946-0591
ethyl 4-{[2-(3,4-diethoxyphenyl)ethyl]amino}-2,6-dimethylfuro[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

E946-0591

Molecular Formula

C23H29N3O5 (C23 H29 N3 O5)

Compound Name

ethyl 4-{[2-(3,4-diethoxyphenyl)ethyl]amino}-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate

IUPAC name

ethyl 4-{[2-(34-diethoxyphenyl)ethyl]amino}-26-dimethylfuro[23-d]pyrimidine-5-carboxylate

SMILES

CCOC(c1c(C)oc2nc(C)nc(NCCc(cc3)cc(OCC)c3OCC)c12)=O

InChI

InChI=1S/C23H29N3O5/c1-6-28-17-10-9-16(13-18(17)29-7-2)11-12-24-21-20-19(23(27)30-8-3)14(4)31-22(20)26-15(5)25-21/h9-10,13H,6-8,11-12H2,1-5H3,(H,24,25,26)

InChI Key

NPPHEOXAWMEXSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14929555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.481

Distribution Coefficient, logD

3.481

Water Solubility, LogSw

-4.16

Polar Surface Area

72.433

Acid Dissociation Constant (pKa)

16.32

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

E946-0591 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with E946-0591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E946-0591?
Check Price and Availability of E946-0591, 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 E946-0591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E946-0591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E946-0591
  • 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 E946-0591 available by request