6228-2188 Screening compound: N-[4-bromo-2-(trifluoromethyl)phenyl]-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}furan-2-carboxamide

6228-2188 Screening compound: N-[4-bromo-2-(trifluoromethyl)phenyl]-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}furan-2-carboxamide
6228-2188 Screening compound: N-[4-bromo-2-(trifluoromethyl)phenyl]-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-2188
N-[4-bromo-2-(trifluoromethyl)phenyl]-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}furan-2-carboxamide

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

6228-2188

Molecular Formula

C23H21BrF3NO3 (C23 H21 BrF3 NO3)

Compound Name

N-[4-bromo-2-(trifluoromethyl)phenyl]-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}furan-2-carboxamide

IUPAC name

N-[4-bromo-2-(trifluoromethyl)phenyl]-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}furan-2-carboxamide

SMILES

CC(C)c(ccc(C)c1)c1OCc1ccc(C(Nc(cc2)c(C(F)(F)F)cc2Br)=O)o1

InChI

InChI=1S/C23H21BrF3NO3/c1-13(2)17-7-4-14(3)10-21(17)30-12-16-6-9-20(31-16)22(29)28-19-8-5-15(24)11-18(19)23(25,26)27/h4-11,13H,12H2,1-3H3,(H,28,29)

InChI Key

QUJNRXUEJWTSCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02174718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.629

Distribution Coefficient, logD

7.628

Water Solubility, LogSw

-5.57

Polar Surface Area

37.787

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

-2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

6228-2188 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6228-2188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-2188?
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What is the minimum amount of 6228-2188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-2188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-2188
  • 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 6228-2188 available by request