8011-5342 Screening compound: ethyl 2-{[(2,5-dichlorophenyl)carbamoyl]amino}-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate

8011-5342 Screening compound: ethyl 2-{[(2,5-dichlorophenyl)carbamoyl]amino}-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate
8011-5342 Screening compound: ethyl 2-{[(2,5-dichlorophenyl)carbamoyl]amino}-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-5342
ethyl 2-{[(2,5-dichlorophenyl)carbamoyl]amino}-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate

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

8011-5342

Molecular Formula

C14H12Cl2F6N2O4 (C14 H12 Cl2 F6 N2 O4)

Compound Name

ethyl 2-{[(2,5-dichlorophenyl)carbamoyl]amino}-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate

IUPAC name

ethyl 2-{[(25-dichlorophenyl)carbamoyl]amino}-333-trifluoro-2-(222-trifluoroethoxy)propanoate

SMILES

CCOC(C(C(F)(F)F)(NC(Nc(cc(cc1)Cl)c1Cl)=O)OCC(F)(F)F)=O

InChI

InChI=1S/C14H12Cl2F6N2O4/c1-2-27-10(25)13(14(20,21)22,28-6-12(17,18)19)24-11(26)23-9-5-7(15)3-4-8(9)16/h3-5H,2,6H2,1H3,(H2,23,24,26)/t13-/m1/s1

InChI Key

RLESNTKUEPEJFM-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD02648797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.16

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.015

Distribution Coefficient, logD

4.807

Water Solubility, LogSw

-5.11

Polar Surface Area

61.320

Acid Dissociation Constant (pKa)

7.61

Base Dissociation Constant (pKb)

-2.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 8011-5342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-5342?
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What is the minimum amount of 8011-5342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-5342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-5342
  • 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 8011-5342 available by request