0173-S040 Screening compound: ethyl N-{2,2,2-trichloro-1-[hydroxy({2,2,2-trichloro-1-[(ethoxycarbonyl)amino]ethyl})amino]ethyl}carbamate

0173-S040 Screening compound: ethyl N-{2,2,2-trichloro-1-[hydroxy({2,2,2-trichloro-1-[(ethoxycarbonyl)amino]ethyl})amino]ethyl}carbamate
0173-S040 Screening compound: ethyl N-{2,2,2-trichloro-1-[hydroxy({2,2,2-trichloro-1-[(ethoxycarbonyl)amino]ethyl})amino]ethyl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0173-S040
ethyl N-{2,2,2-trichloro-1-[hydroxy({2,2,2-trichloro-1-[(ethoxycarbonyl)amino]ethyl})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

0173-S040

Molecular Formula

C10H15Cl6N3O5 (C10 H15 Cl6 N3 O5)

Compound Name

ethyl N-{2,2,2-trichloro-1-[hydroxy({2,2,2-trichloro-1-[(ethoxycarbonyl)amino]ethyl})amino]ethyl}carbamate

IUPAC name

ethyl N-{222-trichloro-1-[hydroxy({222-trichloro-1-[(ethoxycarbonyl)amino]ethyl})amino]ethyl}carbamate

SMILES

CCOC(NC(C(Cl)(Cl)Cl)N(C(C(Cl)(Cl)Cl)NC(OCC)=O)O)=O

InChI

InChI=1S/C10H15Cl6N3O5/c1-3-23-7(20)17-5(9(11,12)13)19(22)6(10(14,15)16)18-8(21)24-4-2/h5-6,22H,3-4H2,1-2H3,(H,17,20)(H,18,21)

InChI Key

XGBQYRHWLIGOQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00390109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.96

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.715

Distribution Coefficient, logD

3.705

Water Solubility, LogSw

-3.87

Polar Surface Area

85.943

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

-6.50

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

80.00

0173-S040 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0173-S040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0173-S040?
Check Price and Availability of 0173-S040, 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 0173-S040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0173-S040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0173-S040
  • 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 0173-S040 available by request