6649-0938 Screening compound: 3-(2-chlorophenoxy)-7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one

6649-0938 Screening compound: 3-(2-chlorophenoxy)-7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one
6649-0938 Screening compound: 3-(2-chlorophenoxy)-7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6649-0938
3-(2-chlorophenoxy)-7-hydroxy-8-[(2-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

6649-0938

Molecular Formula

C23H21ClF3NO4 (C23 H21 ClF3 NO4)

Compound Name

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

IUPAC name

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

SMILES

CC1N(Cc(c(OC(C(F)(F)F)=C2Oc(cccc3)c3Cl)c(cc3)C2=O)c3O)CCCC1

InChI

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

InChI Key

YQWZTCGFLUUJHC-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03619987

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

5.308

Distribution Coefficient, logD

4.144

Water Solubility, LogSw

-5.31

Polar Surface Area

47.117

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

9.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

6649-0938 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 6649-0938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6649-0938?
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What is the minimum amount of 6649-0938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6649-0938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6649-0938
  • 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 6649-0938 available by request