3259-0003 Screening compound: ethyl 3-amino-1-(3-hydroxyphenyl)-1H-benzo[f]chromene-2-carboxylate

3259-0003 Screening compound: ethyl 3-amino-1-(3-hydroxyphenyl)-1H-benzo[f]chromene-2-carboxylate
3259-0003 Screening compound: ethyl 3-amino-1-(3-hydroxyphenyl)-1H-benzo[f]chromene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3259-0003
ethyl 3-amino-1-(3-hydroxyphenyl)-1H-benzo[f]chromene-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

3259-0003

Molecular Formula

C22H19NO4 (C22 H19 NO4)

Compound Name

ethyl 3-amino-1-(3-hydroxyphenyl)-1H-benzo[f]chromene-2-carboxylate

IUPAC name

ethyl 3-amino-1-(3-hydroxyphenyl)-1H-benzo[f]chromene-2-carboxylate

SMILES

CCOC(C(C1c2cc(O)ccc2)=C(N)Oc2c1c1ccccc1cc2)=O

InChI

InChI=1S/C22H19NO4/c1-2-26-22(25)20-18(14-7-5-8-15(24)12-14)19-16-9-4-3-6-13(16)10-11-17(19)27-21(20)23/h3-12,18,24H,2,23H2,1H3/t18-/m1/s1

InChI Key

QASYRDUOQQQSAO-GOSISDBHSA-N

MDL Number (MFCD)

MFCD01829662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.041

Distribution Coefficient, logD

4.032

Water Solubility, LogSw

-4.19

Polar Surface Area

67.337

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

3259-0003 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 3259-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3259-0003?
Check Price and Availability of 3259-0003, 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 3259-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3259-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3259-0003
  • 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 3259-0003 available by request