1151-0302 Screening compound: 6-methoxy-2-oxo-N-[3-(trifluoromethyl)phenyl]-2H-chromene-3-carboxamide

1151-0302 Screening compound: 6-methoxy-2-oxo-N-[3-(trifluoromethyl)phenyl]-2H-chromene-3-carboxamide
1151-0302 Screening compound: 6-methoxy-2-oxo-N-[3-(trifluoromethyl)phenyl]-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1151-0302
6-methoxy-2-oxo-N-[3-(trifluoromethyl)phenyl]-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

1151-0302

Molecular Formula

C18H12F3NO4 (C18 H12 F3 NO4)

Compound Name

6-methoxy-2-oxo-N-[3-(trifluoromethyl)phenyl]-2H-chromene-3-carboxamide

IUPAC name

6-methoxy-2-oxo-N-[3-(trifluoromethyl)phenyl]-2H-chromene-3-carboxamide

SMILES

COc(cc1)cc(C=C2C(Nc3cccc(C(F)(F)F)c3)=O)c1OC2=O

InChI

InChI=1S/C18H12F3NO4/c1-25-13-5-6-15-10(7-13)8-14(17(24)26-15)16(23)22-12-4-2-3-11(9-12)18(19,20)21/h2-9H,1H3,(H,22,23)

InChI Key

LAPXWAZSGYKINT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.926

Distribution Coefficient, logD

3.670

Water Solubility, LogSw

-4.26

Polar Surface Area

51.795

Acid Dissociation Constant (pKa)

7.50

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

1151-0302 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1151-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1151-0302?
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What is the minimum amount of 1151-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1151-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1151-0302
  • 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 1151-0302 available by request