1309-0944 Screening compound: 3-methyl-N-(2,2,2-trichloro-1-{[(2,5-dichlorophenyl)carbamothioyl]amino}ethyl)benzamide

1309-0944 Screening compound: 3-methyl-N-(2,2,2-trichloro-1-{[(2,5-dichlorophenyl)carbamothioyl]amino}ethyl)benzamide
1309-0944 Screening compound: 3-methyl-N-(2,2,2-trichloro-1-{[(2,5-dichlorophenyl)carbamothioyl]amino}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1309-0944
3-methyl-N-(2,2,2-trichloro-1-{[(2,5-dichlorophenyl)carbamothioyl]amino}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

1309-0944

Molecular Formula

C17H14Cl5N3OS (C17 H14 Cl5 N3 OS)

Compound Name

3-methyl-N-(2,2,2-trichloro-1-{[(2,5-dichlorophenyl)carbamothioyl]amino}ethyl)benzamide

IUPAC name

3-methyl-N-(222-trichloro-1-{[(25-dichlorophenyl)carbamothioyl]amino}ethyl)benzamide

SMILES

Cc1cccc(C(NC(C(Cl)(Cl)Cl)NC(Nc(cc(cc2)Cl)c2Cl)=S)=O)c1

InChI

InChI=1S/C17H14Cl5N3OS/c1-9-3-2-4-10(7-9)14(26)24-15(17(20,21)22)25-16(27)23-13-8-11(18)5-6-12(13)19/h2-8,15H,1H3,(H,24,26)(H2,23,25,27)/t15-/m0/s1

InChI Key

OQJADRBOSYVWME-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00268289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.65

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

5.630

Distribution Coefficient, logD

4.358

Water Solubility, LogSw

-6.01

Polar Surface Area

42.662

Acid Dissociation Constant (pKa)

6.15

Base Dissociation Constant (pKb)

-3.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

1309-0944 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1309-0944 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1309-0944?
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What is the minimum amount of 1309-0944 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1309-0944
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1309-0944
  • 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 1309-0944 available by request