0318-0107 Screening compound: ethyl N-(2,2,2-trichloro-1-{[(2,4,6-trichlorophenyl)carbamothioyl]amino}ethyl)carbamate

0318-0107 Screening compound: ethyl N-(2,2,2-trichloro-1-{[(2,4,6-trichlorophenyl)carbamothioyl]amino}ethyl)carbamate
0318-0107 Screening compound: ethyl N-(2,2,2-trichloro-1-{[(2,4,6-trichlorophenyl)carbamothioyl]amino}ethyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0318-0107
ethyl N-(2,2,2-trichloro-1-{[(2,4,6-trichlorophenyl)carbamothioyl]amino}ethyl)carbamate

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

0318-0107

Molecular Formula

C12H11Cl6N3O2S (C12 H11 Cl6 N3 O2 S)

Compound Name

ethyl N-(2,2,2-trichloro-1-{[(2,4,6-trichlorophenyl)carbamothioyl]amino}ethyl)carbamate

IUPAC name

ethyl N-(222-trichloro-1-{[(246-trichlorophenyl)carbamothioyl]amino}ethyl)carbamate

SMILES

CCOC(NC(C(Cl)(Cl)Cl)NC(Nc(c(Cl)cc(Cl)c1)c1Cl)=S)=O

InChI

InChI=1S/C12H11Cl6N3O2S/c1-2-23-11(22)21-9(12(16,17)18)20-10(24)19-8-6(14)3-5(13)4-7(8)15/h3-4,9H,2H2,1H3,(H,21,22)(H2,19,20,24)/t9-/m0/s1

InChI Key

HTTZDKMKMACLMV-VIFPVBQESA-N

MDL Number (MFCD)

MFCD00225844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.02

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.041

Distribution Coefficient, logD

4.727

Water Solubility, LogSw

-5.21

Polar Surface Area

50.317

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

-5.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 0318-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0318-0107?
Check Price and Availability of 0318-0107, 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 0318-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0318-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0318-0107
  • 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 0318-0107 available by request