3992-2918 Screening compound: methyl 2-{[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate

3992-2918 Screening compound: methyl 2-{[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate
3992-2918 Screening compound: methyl 2-{[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3992-2918
methyl 2-{[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate

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

3992-2918

Molecular Formula

C19H12ClF3O5 (C19 H12 ClF3 O5)

Compound Name

methyl 2-{[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate

IUPAC name

methyl 2-{[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate

SMILES

COC(COc(cc1)cc(OC(C(F)(F)F)=C2c(cc3)ccc3Cl)c1C2=O)=O

InChI

InChI=1S/C19H12ClF3O5/c1-26-15(24)9-27-12-6-7-13-14(8-12)28-18(19(21,22)23)16(17(13)25)10-2-4-11(20)5-3-10/h2-8H,9H2,1H3

InChI Key

BBUUVRIOTPLICJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02358757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.75

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.070

Distribution Coefficient, logD

4.070

Water Solubility, LogSw

-4.61

Polar Surface Area

48.356

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

3992-2918 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3992-2918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3992-2918?
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What is the minimum amount of 3992-2918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3992-2918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3992-2918
  • 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 3992-2918 available by request