0319-0112 Screening compound: 3,3-dimethyl-1-(2,2,2-trichloro-1-{[(3,4-dichlorophenyl)carbamothioyl]amino}ethyl)urea

0319-0112 Screening compound: 3,3-dimethyl-1-(2,2,2-trichloro-1-{[(3,4-dichlorophenyl)carbamothioyl]amino}ethyl)urea
0319-0112 Screening compound: 3,3-dimethyl-1-(2,2,2-trichloro-1-{[(3,4-dichlorophenyl)carbamothioyl]amino}ethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 0319-0112
3,3-dimethyl-1-(2,2,2-trichloro-1-{[(3,4-dichlorophenyl)carbamothioyl]amino}ethyl)urea

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

0319-0112

Molecular Formula

C12H13Cl5N4OS (C12 H13 Cl5 N4 OS)

Compound Name

3,3-dimethyl-1-(2,2,2-trichloro-1-{[(3,4-dichlorophenyl)carbamothioyl]amino}ethyl)urea

IUPAC name

33-dimethyl-1-(222-trichloro-1-{[(34-dichlorophenyl)carbamothioyl]amino}ethyl)urea

SMILES

CN(C)C(NC(C(Cl)(Cl)Cl)NC(Nc(cc1)cc(Cl)c1Cl)=S)=O

InChI

InChI=1S/C12H13Cl5N4OS/c1-21(2)11(22)20-9(12(15,16)17)19-10(23)18-6-3-4-7(13)8(14)5-6/h3-5,9H,1-2H3,(H,20,22)(H2,18,19,23)/t9-/m0/s1

InChI Key

ROLHJKDTIPXOFL-VIFPVBQESA-N

MDL Number (MFCD)

MFCD00225812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.253

Distribution Coefficient, logD

4.227

Water Solubility, LogSw

-4.50

Polar Surface Area

45.090

Acid Dissociation Constant (pKa)

8.61

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 0319-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0319-0112?
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What is the minimum amount of 0319-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0319-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0319-0112
  • 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 0319-0112 available by request