E948-0495 Screening compound: ethyl 2-[6-methyl-4-(morpholin-4-yl)furo[2,3-d]pyrimidine-5-amido]benzoate

E948-0495 Screening compound: ethyl 2-[6-methyl-4-(morpholin-4-yl)furo[2,3-d]pyrimidine-5-amido]benzoate
E948-0495 Screening compound: ethyl 2-[6-methyl-4-(morpholin-4-yl)furo[2,3-d]pyrimidine-5-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E948-0495
ethyl 2-[6-methyl-4-(morpholin-4-yl)furo[2,3-d]pyrimidine-5-amido]benzoate

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

E948-0495

Molecular Formula

C21H22N4O5 (C21 H22 N4 O5)

Compound Name

ethyl 2-[6-methyl-4-(morpholin-4-yl)furo[2,3-d]pyrimidine-5-amido]benzoate

IUPAC name

ethyl 2-[6-methyl-4-(morpholin-4-yl)furo[23-d]pyrimidine-5-amido]benzoate

SMILES

CCOC(c(cccc1)c1NC(c1c(C)oc2ncnc(N3CCOCC3)c12)=O)=O

InChI

InChI=1S/C21H22N4O5/c1-3-29-21(27)14-6-4-5-7-15(14)24-19(26)16-13(2)30-20-17(16)18(22-12-23-20)25-8-10-28-11-9-25/h4-7,12H,3,8-11H2,1-2H3,(H,24,26)

InChI Key

QYWQIJOYGJXMSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14929890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.206

Distribution Coefficient, logD

3.197

Water Solubility, LogSw

-3.79

Polar Surface Area

82.610

Acid Dissociation Constant (pKa)

9.05

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E948-0495 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E948-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E948-0495?
Check Price and Availability of E948-0495, 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 E948-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E948-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E948-0495
  • 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 E948-0495 available by request