8014-1140 Screening compound: 3-(3,4-dimethoxyphenyl)-3-[(2-oxo-2H-chromen-3-yl)formamido]propanoic acid

8014-1140 Screening compound: 3-(3,4-dimethoxyphenyl)-3-[(2-oxo-2H-chromen-3-yl)formamido]propanoic acid
8014-1140 Screening compound: 3-(3,4-dimethoxyphenyl)-3-[(2-oxo-2H-chromen-3-yl)formamido]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1140
3-(3,4-dimethoxyphenyl)-3-[(2-oxo-2H-chromen-3-yl)formamido]propanoic 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

8014-1140

Molecular Formula

C21H19NO7 (C21 H19 NO7)

Compound Name

3-(3,4-dimethoxyphenyl)-3-[(2-oxo-2H-chromen-3-yl)formamido]propanoic acid

IUPAC name

3-(34-dimethoxyphenyl)-3-[(2-oxo-2H-chromen-3-yl)formamido]propanoic acid

SMILES

COc(ccc(C(CC(O)=O)NC(C1=Cc(cccc2)c2OC1=O)=O)c1)c1OC

InChI

InChI=1S/C21H19NO7/c1-27-17-8-7-12(10-18(17)28-2)15(11-19(23)24)22-20(25)14-9-13-5-3-4-6-16(13)29-21(14)26/h3-10,15H,11H2,1-2H3,(H,22,25)(H,23,24)/t15-/m0/s1

InChI Key

MRZOHXVESLCTCR-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03767483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.916

Distribution Coefficient, logD

-0.722

Water Solubility, LogSw

-2.72

Polar Surface Area

88.848

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

8014-1140 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

STING Agonist Library (5895 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:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8014-1140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1140?
Check Price and Availability of 8014-1140, 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 8014-1140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1140
  • 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 8014-1140 available by request