3992-2945 Screening compound: 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methoxybenzoate

3992-2945 Screening compound: 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methoxybenzoate
3992-2945 Screening compound: 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3992-2945
3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methoxybenzoate

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

3992-2945

Molecular Formula

C24H14ClF3O5 (C24 H14 ClF3 O5)

Compound Name

3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methoxybenzoate

IUPAC name

3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methoxybenzoate

SMILES

COc(cc1)ccc1C(Oc(cc1)cc(OC(C(F)(F)F)=C2c(cc3)ccc3Cl)c1C2=O)=O

InChI

InChI=1S/C24H14ClF3O5/c1-31-16-8-4-14(5-9-16)23(30)32-17-10-11-18-19(12-17)33-22(24(26,27)28)20(21(18)29)13-2-6-15(25)7-3-13/h2-12H,1H3

InChI Key

JOBGLOJIRABBQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02358784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.82

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

5.817

Distribution Coefficient, logD

5.817

Water Solubility, LogSw

-6.08

Polar Surface Area

48.199

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

3992-2945 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 3992-2945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3992-2945?
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What is the minimum amount of 3992-2945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3992-2945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3992-2945
  • 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 3992-2945 available by request