0848-0113 Screening compound: 4-[2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-amido]benzoic acid

0848-0113 Screening compound: 4-[2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-amido]benzoic acid
0848-0113 Screening compound: 4-[2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-amido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0848-0113
4-[2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-amido]benzoic acid

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

0848-0113

Molecular Formula

C20H15NO5 (C20 H15 NO5)

Compound Name

4-[2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-amido]benzoic acid

IUPAC name

4-[2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-amido]benzoic acid

SMILES

C=CCc1cccc(C=C2C(Nc(cc3)ccc3C(O)=O)=O)c1OC2=O

InChI

InChI=1S/C20H15NO5/c1-2-4-12-5-3-6-14-11-16(20(25)26-17(12)14)18(22)21-15-9-7-13(8-10-15)19(23)24/h2-3,5-11H,1,4H2,(H,21,22)(H,23,24)

InChI Key

HLXWYFISPLDTFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00812214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.840

Distribution Coefficient, logD

1.445

Water Solubility, LogSw

-4.27

Polar Surface Area

72.344

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

References: we are preparing a list of scientific research reports with 0848-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0848-0113?
Check Price and Availability of 0848-0113, 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 0848-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0848-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0848-0113
  • 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 0848-0113 available by request