0988-0137 Screening compound: N-(naphthalen-1-yl)-2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxamide

0988-0137 Screening compound: N-(naphthalen-1-yl)-2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxamide
0988-0137 Screening compound: N-(naphthalen-1-yl)-2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0988-0137
N-(naphthalen-1-yl)-2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxamide

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

0988-0137

Molecular Formula

C23H17NO3 (C23 H17 NO3)

Compound Name

N-(naphthalen-1-yl)-2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxamide

IUPAC name

N-(naphthalen-1-yl)-2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxamide

SMILES

C=CCc1cccc(C=C2C(Nc3cccc4ccccc34)=O)c1OC2=O

InChI

InChI=1S/C23H17NO3/c1-2-7-16-10-5-11-17-14-19(23(26)27-21(16)17)22(25)24-20-13-6-9-15-8-3-4-12-18(15)20/h2-6,8-14H,1,7H2,(H,24,25)

InChI Key

URKXVOURFCOXAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00721914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.759

Distribution Coefficient, logD

4.752

Water Solubility, LogSw

-5.65

Polar Surface Area

42.966

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

0988-0137 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 0988-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0988-0137?
Check Price and Availability of 0988-0137, 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 0988-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0988-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0988-0137
  • 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 0988-0137 available by request