5847-0308 Screening compound: 3-(4-chlorophenyl)-7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one

5847-0308 Screening compound: 3-(4-chlorophenyl)-7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one
5847-0308 Screening compound: 3-(4-chlorophenyl)-7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5847-0308
3-(4-chlorophenyl)-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

5847-0308

Molecular Formula

C23H21ClF3NO3 (C23 H21 ClF3 NO3)

Compound Name

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

IUPAC name

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

SMILES

CC1CN(Cc(c(OC(C(F)(F)F)=C2c(cc3)ccc3Cl)c(cc3)C2=O)c3O)CCC1

InChI

InChI=1S/C23H21ClF3NO3/c1-13-3-2-10-28(11-13)12-17-18(29)9-8-16-20(30)19(14-4-6-15(24)7-5-14)22(23(25,26)27)31-21(16)17/h4-9,13,29H,2-3,10-12H2,1H3/t13-/m0/s1

InChI Key

KVVYDQNPTWIBKE-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03786403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.519

Distribution Coefficient, logD

4.607

Water Solubility, LogSw

-5.69

Polar Surface Area

40.176

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

8.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

5847-0308 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 5847-0308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5847-0308?
Check Price and Availability of 5847-0308, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5847-0308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5847-0308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5847-0308
  • 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 5847-0308 available by request