6228-0768 Screening compound: METHYL 2-(2-METHYL-2,3-DIHYDRO-1-BENZOFURAN-5-AMIDO)BENZOATE

6228-0768 Screening compound: METHYL 2-(2-METHYL-2,3-DIHYDRO-1-BENZOFURAN-5-AMIDO)BENZOATE
6228-0768 Screening compound: METHYL 2-(2-METHYL-2,3-DIHYDRO-1-BENZOFURAN-5-AMIDO)BENZOATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-0768
METHYL 2-(2-METHYL-2,3-DIHYDRO-1-BENZOFURAN-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

6228-0768

Molecular Formula

C18H17NO4 (C18 H17 NO4)

Compound Name

METHYL 2-(2-METHYL-2,3-DIHYDRO-1-BENZOFURAN-5-AMIDO)BENZOATE

IUPAC name

n/a

SMILES

CC(C1)Oc(cc2)c1cc2C(Nc(cccc1)c1C(OC)=O)=O

InChI

InChI=1S/C18H17NO4/c1-11-9-13-10-12(7-8-16(13)23-11)17(20)19-15-6-4-3-5-14(15)18(21)22-2/h3-8,10-11H,9H2,1-2H3,(H,19,20)/t11-/m1/s1

InChI Key

UPJRWHDJRHDXEL-LLVKDONJSA-N

MDL Number (MFCD)

MFCD03266994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.416

Distribution Coefficient, logD

2.919

Water Solubility, LogSw

-3.71

Polar Surface Area

51.207

Acid Dissociation Constant (pKa)

7.07

Base Dissociation Constant (pKb)

-3.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.00

6228-0768 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 6228-0768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-0768?
Check Price and Availability of 6228-0768, 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 6228-0768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-0768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-0768
  • 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 6228-0768 available by request