6005-0073 Screening compound: ethyl 4-[(2E)-3-(5-methylfuran-2-yl)prop-2-enamido]benzoate

6005-0073 Screening compound: ethyl 4-[(2E)-3-(5-methylfuran-2-yl)prop-2-enamido]benzoate
6005-0073 Screening compound: ethyl 4-[(2E)-3-(5-methylfuran-2-yl)prop-2-enamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6005-0073
ethyl 4-[(2E)-3-(5-methylfuran-2-yl)prop-2-enamido]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

6005-0073

Molecular Formula

C17H17NO4 (C17 H17 NO4)

Compound Name

ethyl 4-[(2E)-3-(5-methylfuran-2-yl)prop-2-enamido]benzoate

IUPAC name

ethyl 4-[(2E)-3-(5-methylfuran-2-yl)prop-2-enamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(/C=C/c1ccc(C)o1)=O)=O

InChI

InChI=1S/C17H17NO4/c1-3-21-17(20)13-5-7-14(8-6-13)18-16(19)11-10-15-9-4-12(2)22-15/h4-11H,3H2,1-2H3,(H,18,19)

InChI Key

XIHQAXMEESFAHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03365909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.977

Distribution Coefficient, logD

3.977

Water Solubility, LogSw

-4.02

Polar Surface Area

51.133

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

6005-0073 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6005-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6005-0073?
Check Price and Availability of 6005-0073, 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 6005-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6005-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6005-0073
  • 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 6005-0073 available by request