0845-0922 Screening compound: methyl N-{[3-chloro-4-(4-chlorophenoxy)phenyl]carbamothioyl}carbamate

0845-0922 Screening compound: methyl N-{[3-chloro-4-(4-chlorophenoxy)phenyl]carbamothioyl}carbamate
0845-0922 Screening compound: methyl N-{[3-chloro-4-(4-chlorophenoxy)phenyl]carbamothioyl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0845-0922
methyl N-{[3-chloro-4-(4-chlorophenoxy)phenyl]carbamothioyl}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

0845-0922

Molecular Formula

C15H12Cl2N2O3S (C15 H12 Cl2 N2 O3 S)

Compound Name

methyl N-{[3-chloro-4-(4-chlorophenoxy)phenyl]carbamothioyl}carbamate

IUPAC name

methyl N-{[3-chloro-4-(4-chlorophenoxy)phenyl]carbamothioyl}carbamate

SMILES

COC(NC(Nc(cc1)cc(Cl)c1Oc(cc1)ccc1Cl)=S)=O

InChI

InChI=1S/C15H12Cl2N2O3S/c1-21-15(20)19-14(23)18-10-4-7-13(12(17)8-10)22-11-5-2-9(16)3-6-11/h2-8H,1H3,(H2,18,19,20,23)

InChI Key

HBNIMRORZKYPCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00397750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.577

Distribution Coefficient, logD

4.556

Water Solubility, LogSw

-4.75

Polar Surface Area

48.847

Acid Dissociation Constant (pKa)

8.72

Base Dissociation Constant (pKb)

-3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

0845-0922 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0845-0922 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0845-0922?
Check Price and Availability of 0845-0922, 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 0845-0922 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0845-0922
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0845-0922
  • 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 0845-0922 available by request