0318-0039 Screening compound: N-(2,2,2-trichloro-1-{[(4-methoxyphenyl)carbamothioyl]amino}ethyl)acetamide

0318-0039 Screening compound: N-(2,2,2-trichloro-1-{[(4-methoxyphenyl)carbamothioyl]amino}ethyl)acetamide
0318-0039 Screening compound: N-(2,2,2-trichloro-1-{[(4-methoxyphenyl)carbamothioyl]amino}ethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0318-0039
N-(2,2,2-trichloro-1-{[(4-methoxyphenyl)carbamothioyl]amino}ethyl)acetamide

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

0318-0039

Molecular Formula

C12H14Cl3N3O2S (C12 H14 Cl3 N3 O2 S)

Compound Name

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

IUPAC name

N-(222-trichloro-1-{[(4-methoxyphenyl)carbamothioyl]amino}ethyl)acetamide

SMILES

CC(NC(C(Cl)(Cl)Cl)NC(Nc(cc1)ccc1OC)=S)=O

InChI

InChI=1S/C12H14Cl3N3O2S/c1-7(19)16-10(12(13,14)15)18-11(21)17-8-3-5-9(20-2)6-4-8/h3-6,10H,1-2H3,(H,16,19)(H2,17,18,21)/t10-/m0/s1

InChI Key

ZRWCCOMLLZJFOY-JTQLQIEISA-N

MDL Number (MFCD)

MFCD00225853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.69

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.566

Distribution Coefficient, logD

2.529

Water Solubility, LogSw

-3.24

Polar Surface Area

51.074

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 0318-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0318-0039?
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What is the minimum amount of 0318-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0318-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0318-0039
  • 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 0318-0039 available by request