0318-0083 Screening compound: 2-chloro-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)acetamide

0318-0083 Screening compound: 2-chloro-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)acetamide
0318-0083 Screening compound: 2-chloro-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0318-0083
2-chloro-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)acetamide

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

0318-0083

Molecular Formula

C11H10Cl4N4O3S (C11 H10 Cl4 N4 O3 S)

Compound Name

2-chloro-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)acetamide

IUPAC name

2-chloro-N-(222-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)acetamide

SMILES

[O-][N+](c(cc1)ccc1NC(NC(C(Cl)(Cl)Cl)NC(CCl)=O)=S)=O

InChI

InChI=1S/C11H10Cl4N4O3S/c12-5-8(20)17-9(11(13,14)15)18-10(23)16-6-1-3-7(4-2-6)19(21)22/h1-4,9H,5H2,(H,17,20)(H2,16,18,23)/t9-/m0/s1

InChI Key

QNVAEALKCISBNR-VIFPVBQESA-N

MDL Number (MFCD)

MFCD00226187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.1

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.947

Distribution Coefficient, logD

2.266

Water Solubility, LogSw

-3.59

Polar Surface Area

76.799

Acid Dissociation Constant (pKa)

6.82

Base Dissociation Constant (pKb)

-5.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

0318-0083 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0318-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0318-0083?
Check Price and Availability of 0318-0083, 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 0318-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0318-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0318-0083
  • 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 0318-0083 available by request