8011-8064 Screening compound: N-[(furan-2-yl)methyl]-N-{1-methyl-1-[(2-methylphenyl)carbamoyl]ethyl}-2-(2,4,5-trichlorophenoxy)propanamide

8011-8064 Screening compound: N-[(furan-2-yl)methyl]-N-{1-methyl-1-[(2-methylphenyl)carbamoyl]ethyl}-2-(2,4,5-trichlorophenoxy)propanamide
8011-8064 Screening compound: N-[(furan-2-yl)methyl]-N-{1-methyl-1-[(2-methylphenyl)carbamoyl]ethyl}-2-(2,4,5-trichlorophenoxy)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-8064
N-[(furan-2-yl)methyl]-N-{1-methyl-1-[(2-methylphenyl)carbamoyl]ethyl}-2-(2,4,5-trichlorophenoxy)propanamide

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

8011-8064

Molecular Formula

C25H25Cl3N2O4 (C25 H25 Cl3 N2 O4)

Compound Name

N-[(furan-2-yl)methyl]-N-{1-methyl-1-[(2-methylphenyl)carbamoyl]ethyl}-2-(2,4,5-trichlorophenoxy)propanamide

IUPAC name

N-[(furan-2-yl)methyl]-N-{1-methyl-1-[(2-methylphenyl)carbamoyl]ethyl}-2-(245-trichlorophenoxy)propanamide

SMILES

CC(C(N(Cc1ccco1)C(C)(C)C(Nc1c(C)cccc1)=O)=O)Oc(c(Cl)c1)cc(Cl)c1Cl

InChI

InChI=1S/C25H25Cl3N2O4/c1-15-8-5-6-10-21(15)29-24(32)25(3,4)30(14-17-9-7-11-33-17)23(31)16(2)34-22-13-19(27)18(26)12-20(22)28/h5-13,16H,14H2,1-4H3,(H,29,32)/t16-/m0/s1

InChI Key

BBNGMZHODALCSX-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02933229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.288

Distribution Coefficient, logD

6.288

Water Solubility, LogSw

-6.11

Polar Surface Area

53.194

Acid Dissociation Constant (pKa)

11.81

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with 8011-8064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-8064?
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What is the minimum amount of 8011-8064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-8064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-8064
  • 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 8011-8064 available by request