5493-0061 Screening compound: {[2-(METHOXYCARBONYL)PHENYL]CARBAMOYL}METHYL 1-BENZOFURAN-2-CARBOXYLATE

5493-0061 Screening compound: {[2-(METHOXYCARBONYL)PHENYL]CARBAMOYL}METHYL 1-BENZOFURAN-2-CARBOXYLATE
5493-0061 Screening compound: {[2-(METHOXYCARBONYL)PHENYL]CARBAMOYL}METHYL 1-BENZOFURAN-2-CARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 5493-0061
{[2-(METHOXYCARBONYL)PHENYL]CARBAMOYL}METHYL 1-BENZOFURAN-2-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

5493-0061

Molecular Formula

C19H15NO6 (C19 H15 NO6)

Compound Name

{[2-(METHOXYCARBONYL)PHENYL]CARBAMOYL}METHYL 1-BENZOFURAN-2-CARBOXYLATE

IUPAC name

{[2-(methoxycarbonyl)phenyl]carbamoyl}methyl 1-benzofuran-2-carboxylate

SMILES

COC(c(cccc1)c1NC(COC(c1cc(cccc2)c2o1)=O)=O)=O

InChI

InChI=1S/C19H15NO6/c1-24-18(22)13-7-3-4-8-14(13)20-17(21)11-25-19(23)16-10-12-6-2-5-9-15(12)26-16/h2-10H,11H2,1H3,(H,20,21)

InChI Key

MOXZQZOVRBCAHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04321594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.444

Distribution Coefficient, logD

3.434

Water Solubility, LogSw

-3.83

Polar Surface Area

73.014

Acid Dissociation Constant (pKa)

9.05

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

5493-0061 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5493-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5493-0061?
Check Price and Availability of 5493-0061, 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 5493-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5493-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5493-0061
  • 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 5493-0061 available by request