D068-0019 Screening compound: ethyl 4-(3,4-dihydro-1H-2-benzopyran-1-amido)benzoate

D068-0019 Screening compound: ethyl 4-(3,4-dihydro-1H-2-benzopyran-1-amido)benzoate
D068-0019 Screening compound: ethyl 4-(3,4-dihydro-1H-2-benzopyran-1-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D068-0019
ethyl 4-(3,4-dihydro-1H-2-benzopyran-1-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

D068-0019

Molecular Formula

C19H19NO4 (C19 H19 NO4)

Compound Name

ethyl 4-(3,4-dihydro-1H-2-benzopyran-1-amido)benzoate

IUPAC name

ethyl 4-(34-dihydro-1H-2-benzopyran-1-amido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(C1OCCc2c1cccc2)=O)=O

InChI

InChI=1S/C19H19NO4/c1-2-23-19(22)14-7-9-15(10-8-14)20-18(21)17-16-6-4-3-5-13(16)11-12-24-17/h3-10,17H,2,11-12H2,1H3,(H,20,21)/t17-/m1/s1

InChI Key

GVDNLHBNSGDSAB-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD02764287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.544

Distribution Coefficient, logD

3.538

Water Solubility, LogSw

-3.43

Polar Surface Area

52.474

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

D068-0019 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D068-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D068-0019?
Check Price and Availability of D068-0019, 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 D068-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D068-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D068-0019
  • 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 D068-0019 available by request