3931-2155 Screening compound: methyl 2-[(3-{[1,1'-biphenyl]-4-yloxy}-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy]acetate

3931-2155 Screening compound: methyl 2-[(3-{[1,1'-biphenyl]-4-yloxy}-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy]acetate
3931-2155 Screening compound: methyl 2-[(3-{[1,1'-biphenyl]-4-yloxy}-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3931-2155
methyl 2-[(3-{[1,1'-biphenyl]-4-yloxy}-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

3931-2155

Molecular Formula

C25H17F3O6 (C25 H17 F3 O6)

Compound Name

methyl 2-[(3-{[1,1'-biphenyl]-4-yloxy}-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy]acetate

IUPAC name

methyl 2-[(3-{[11'-biphenyl]-4-yloxy}-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy]acetate

SMILES

COC(COc(cc1)cc(OC(C(F)(F)F)=C2Oc(cc3)ccc3-c3ccccc3)c1C2=O)=O

InChI

InChI=1S/C25H17F3O6/c1-31-21(29)14-32-18-11-12-19-20(13-18)34-24(25(26,27)28)23(22(19)30)33-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,14H2,1H3

InChI Key

JNWACWJYNFEFBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02358659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.235

Distribution Coefficient, logD

5.235

Water Solubility, LogSw

-5.16

Polar Surface Area

55.421

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

3931-2155 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 3931-2155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3931-2155?
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What is the minimum amount of 3931-2155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3931-2155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3931-2155
  • 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 3931-2155 available by request