6649-0960 Screening compound: 3-(2-chlorophenoxy)-7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one

6649-0960 Screening compound: 3-(2-chlorophenoxy)-7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one
6649-0960 Screening compound: 3-(2-chlorophenoxy)-7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6649-0960
3-(2-chlorophenoxy)-7-hydroxy-8-[(3-methylpiperidin-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

6649-0960

Molecular Formula

C23H21ClF3NO4 (C23 H21 ClF3 NO4)

Compound Name

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

IUPAC name

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

SMILES

CC1CN(Cc(c(OC(C(F)(F)F)=C2Oc(cccc3)c3Cl)c(cc3)C2=O)c3O)CCC1

InChI

InChI=1S/C23H21ClF3NO4/c1-13-5-4-10-28(11-13)12-15-17(29)9-8-14-19(30)21(22(23(25,26)27)32-20(14)15)31-18-7-3-2-6-16(18)24/h2-3,6-9,13,29H,4-5,10-12H2,1H3/t13-/m0/s1

InChI Key

YBBDCPBIUZPMRL-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03620011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.343

Distribution Coefficient, logD

4.431

Water Solubility, LogSw

-5.34

Polar Surface Area

47.600

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

8.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

6649-0960 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6649-0960 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6649-0960?
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What is the minimum amount of 6649-0960 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6649-0960
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6649-0960
  • 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 6649-0960 available by request