3643-2329 Screening compound: 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 3,4,5-trimethoxybenzoate

3643-2329 Screening compound: 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 3,4,5-trimethoxybenzoate
3643-2329 Screening compound: 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-2329
3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 3,4,5-trimethoxybenzoate

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

3643-2329

Molecular Formula

C28H23F3O9 (C28 H23 F3 O9)

Compound Name

3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 3,4,5-trimethoxybenzoate

IUPAC name

3-(34-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 345-trimethoxybenzoate

SMILES

COc(ccc(C1=C(C(F)(F)F)Oc(cc(cc2)OC(c(cc3OC)cc(OC)c3OC)=O)c2C1=O)c1)c1OC

InChI

InChI=1S/C28H23F3O9/c1-34-18-9-6-14(10-20(18)35-2)23-24(32)17-8-7-16(13-19(17)40-26(23)28(29,30)31)39-27(33)15-11-21(36-3)25(38-5)22(12-15)37-4/h6-13H,1-5H3

InChI Key

RSXOJNCDDOWIEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02333560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.275

Distribution Coefficient, logD

4.275

Water Solubility, LogSw

-4.55

Polar Surface Area

78.894

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with 3643-2329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-2329?
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What is the minimum amount of 3643-2329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-2329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-2329
  • 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 3643-2329 available by request