0502-0092 Screening compound: N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)nonanamide

0502-0092 Screening compound: N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)nonanamide
0502-0092 Screening compound: N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)nonanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0502-0092
N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)nonanamide

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

0502-0092

Molecular Formula

C18H25Cl3N4O3S (C18 H25 Cl3 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCCCCCC(NC(C(Cl)(Cl)Cl)NC(Nc(cc1)ccc1[N+]([O-])=O)=S)=O

InChI

InChI=1S/C18H25Cl3N4O3S/c1-2-3-4-5-6-7-8-15(26)23-16(18(19,20)21)24-17(29)22-13-9-11-14(12-10-13)25(27)28/h9-12,16H,2-8H2,1H3,(H,23,26)(H2,22,24,29)/t16-/m0/s1

InChI Key

OMOJWZLCMIACIL-INIZCTEOSA-N

MDL Number (MFCD)

MFCD00547689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.85

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.909

Distribution Coefficient, logD

5.812

Water Solubility, LogSw

-5.77

Polar Surface Area

76.799

Acid Dissociation Constant (pKa)

8.00

Base Dissociation Constant (pKb)

-5.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

0502-0092 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 0502-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0502-0092?
Check Price and Availability of 0502-0092, 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 0502-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0502-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0502-0092
  • 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 0502-0092 available by request