6649-0937 Screening compound: 3-(2-chlorophenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one

6649-0937 Screening compound: 3-(2-chlorophenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one
6649-0937 Screening compound: 3-(2-chlorophenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6649-0937
3-(2-chlorophenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one

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

6649-0937

Molecular Formula

C22H20ClF3N2O4 (C22 H20 ClF3 N2 O4)

Compound Name

3-(2-chlorophenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one

IUPAC name

3-(2-chlorophenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one

SMILES

CN1CCN(Cc(c(OC(C(F)(F)F)=C2Oc(cccc3)c3Cl)c(cc3)C2=O)c3O)CC1

InChI

InChI=1S/C22H20ClF3N2O4/c1-27-8-10-28(11-9-27)12-14-16(29)7-6-13-18(30)20(21(22(24,25)26)32-19(13)14)31-17-5-3-2-4-15(17)23/h2-7,29H,8-12H2,1H3

InChI Key

SMHCUWDRCFBKOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03619986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.887

Distribution Coefficient, logD

3.088

Water Solubility, LogSw

-3.87

Polar Surface Area

51.143

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

6649-0937 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6649-0937 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6649-0937?
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What is the minimum amount of 6649-0937 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6649-0937
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6649-0937
  • 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 6649-0937 available by request