E947-0212 Screening compound: 1,3-dimethyl 5-{3,6-dimethyl-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-amido}benzene-1,3-dicarboxylate

E947-0212 Screening compound: 1,3-dimethyl 5-{3,6-dimethyl-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-amido}benzene-1,3-dicarboxylate
E947-0212 Screening compound: 1,3-dimethyl 5-{3,6-dimethyl-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-amido}benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E947-0212
1,3-dimethyl 5-{3,6-dimethyl-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-amido}benzene-1,3-dicarboxylate

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

E947-0212

Molecular Formula

C19H17N3O7 (C19 H17 N3 O7)

Compound Name

1,3-dimethyl 5-{3,6-dimethyl-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-amido}benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-{36-dimethyl-4-oxo-3H4H-furo[23-d]pyrimidine-5-amido}benzene-13-dicarboxylate

SMILES

Cc1c(C(Nc2cc(C(OC)=O)cc(C(OC)=O)c2)=O)c(C(N(C)C=N2)=O)c2o1

InChI

InChI=1S/C19H17N3O7/c1-9-13(14-16(29-9)20-8-22(2)17(14)24)15(23)21-12-6-10(18(25)27-3)5-11(7-12)19(26)28-4/h5-8H,1-4H3,(H,21,23)

InChI Key

XOCLJKAHNXBSDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27093696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.36

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.672

Distribution Coefficient, logD

1.671

Water Solubility, LogSw

-2.31

Polar Surface Area

99.147

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

-1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

E947-0212 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E947-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E947-0212?
Check Price and Availability of E947-0212, 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 E947-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E947-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E947-0212
  • 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 E947-0212 available by request