0867-0044 Screening compound: N-(2,2,2-trichloro-1-{[2,2,2-trichloro-1-(phenylformamido)ethyl]sulfanyl}ethyl)benzamide

0867-0044 Screening compound: N-(2,2,2-trichloro-1-{[2,2,2-trichloro-1-(phenylformamido)ethyl]sulfanyl}ethyl)benzamide
0867-0044 Screening compound: N-(2,2,2-trichloro-1-{[2,2,2-trichloro-1-(phenylformamido)ethyl]sulfanyl}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0867-0044
N-(2,2,2-trichloro-1-{[2,2,2-trichloro-1-(phenylformamido)ethyl]sulfanyl}ethyl)benzamide

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

0867-0044

Molecular Formula

C18H14Cl6N2O2S (C18 H14 Cl6 N2 O2 S)

Compound Name

N-(2,2,2-trichloro-1-{[2,2,2-trichloro-1-(phenylformamido)ethyl]sulfanyl}ethyl)benzamide

IUPAC name

N-(222-trichloro-1-{[222-trichloro-1-(phenylformamido)ethyl]sulfanyl}ethyl)benzamide

SMILES

O=C(c1ccccc1)NC(C(Cl)(Cl)Cl)SC(C(Cl)(Cl)Cl)NC(c1ccccc1)=O

InChI

InChI=1S/C18H14Cl6N2O2S/c19-17(20,21)15(25-13(27)11-7-3-1-4-8-11)29-16(18(22,23)24)26-14(28)12-9-5-2-6-10-12/h1-10,15-16H,(H,25,27)(H,26,28)

InChI Key

CZGQIIOGJAPBGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00184071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.1

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.753

Distribution Coefficient, logD

5.709

Water Solubility, LogSw

-6.14

Polar Surface Area

47.146

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

-11.71

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 0867-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0867-0044?
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What is the minimum amount of 0867-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0867-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0867-0044
  • 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 0867-0044 available by request