0687-1138 Screening compound: 2-methyl-N-(2,2,2-trichloro-1-{[(2-methylphenyl)carbamothioyl]amino}ethyl)propanamide

0687-1138 Screening compound: 2-methyl-N-(2,2,2-trichloro-1-{[(2-methylphenyl)carbamothioyl]amino}ethyl)propanamide
0687-1138 Screening compound: 2-methyl-N-(2,2,2-trichloro-1-{[(2-methylphenyl)carbamothioyl]amino}ethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0687-1138
2-methyl-N-(2,2,2-trichloro-1-{[(2-methylphenyl)carbamothioyl]amino}ethyl)propanamide

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

0687-1138

Molecular Formula

C14H18Cl3N3OS (C14 H18 Cl3 N3 OS)

Compound Name

2-methyl-N-(2,2,2-trichloro-1-{[(2-methylphenyl)carbamothioyl]amino}ethyl)propanamide

IUPAC name

2-methyl-N-(222-trichloro-1-{[(2-methylphenyl)carbamothioyl]amino}ethyl)propanamide

SMILES

CC(C)C(NC(C(Cl)(Cl)Cl)NC(Nc1c(C)cccc1)=S)=O

InChI

InChI=1S/C14H18Cl3N3OS/c1-8(2)11(21)19-12(14(15,16)17)20-13(22)18-10-7-5-4-6-9(10)3/h4-8,12H,1-3H3,(H,19,21)(H2,18,20,22)/t12-/m0/s1

InChI Key

QUCOBWSKOYNHHV-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD00268690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.74

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.687

Distribution Coefficient, logD

3.578

Water Solubility, LogSw

-3.95

Polar Surface Area

42.934

Acid Dissociation Constant (pKa)

7.95

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

0687-1138 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 0687-1138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0687-1138?
Check Price and Availability of 0687-1138, 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 0687-1138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0687-1138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0687-1138
  • 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 0687-1138 available by request