0318-0158 Screening compound: 3-methyl-N-[2,2,2-trichloro-1-(4-chlorobenzenesulfonyl)ethyl]butanamide

0318-0158 Screening compound: 3-methyl-N-[2,2,2-trichloro-1-(4-chlorobenzenesulfonyl)ethyl]butanamide
0318-0158 Screening compound: 3-methyl-N-[2,2,2-trichloro-1-(4-chlorobenzenesulfonyl)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0318-0158
3-methyl-N-[2,2,2-trichloro-1-(4-chlorobenzenesulfonyl)ethyl]butanamide

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

0318-0158

Molecular Formula

C13H15Cl4NO3S (C13 H15 Cl4 NO3 S)

Compound Name

3-methyl-N-[2,2,2-trichloro-1-(4-chlorobenzenesulfonyl)ethyl]butanamide

IUPAC name

3-methyl-N-[222-trichloro-1-(4-chlorobenzenesulfonyl)ethyl]butanamide

SMILES

CC(C)CC(NC(C(Cl)(Cl)Cl)S(c(cc1)ccc1Cl)(=O)=O)=O

InChI

InChI=1S/C13H15Cl4NO3S/c1-8(2)7-11(19)18-12(13(15,16)17)22(20,21)10-5-3-9(14)4-6-10/h3-6,8,12H,7H2,1-2H3,(H,18,19)/t12-/m0/s1

InChI Key

KJRRTNJFBLDQFE-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD00225826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.14

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.285

Distribution Coefficient, logD

4.275

Water Solubility, LogSw

-4.43

Polar Surface Area

54.134

Acid Dissociation Constant (pKa)

9.02

Base Dissociation Constant (pKb)

-9.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

References: we are preparing a list of scientific research reports with 0318-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0318-0158?
Check Price and Availability of 0318-0158, 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 0318-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0318-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0318-0158
  • 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 0318-0158 available by request