1309-0931 Screening compound: 3-methyl-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide

1309-0931 Screening compound: 3-methyl-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide
1309-0931 Screening compound: 3-methyl-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1309-0931
3-methyl-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)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

1309-0931

Molecular Formula

C17H17Cl3N4O3S2 (C17 H17 Cl3 N4 O3 S2)

Compound Name

3-methyl-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide

IUPAC name

3-methyl-N-(222-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide

SMILES

Cc1cccc(C(NC(C(Cl)(Cl)Cl)NC(Nc(cc2)ccc2S(N)(=O)=O)=S)=O)c1

InChI

InChI=1S/C17H17Cl3N4O3S2/c1-10-3-2-4-11(9-10)14(25)23-15(17(18,19)20)24-16(28)22-12-5-7-13(8-6-12)29(21,26)27/h2-9,15H,1H3,(H,23,25)(H2,21,26,27)(H2,22,24,28)/t15-/m0/s1

InChI Key

IJWQUZDYUAKZRM-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00340356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.84

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.892

Distribution Coefficient, logD

1.619

Water Solubility, LogSw

-3.60

Polar Surface Area

93.963

Acid Dissociation Constant (pKa)

6.15

Base Dissociation Constant (pKb)

-3.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 1309-0931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1309-0931?
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What is the minimum amount of 1309-0931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1309-0931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1309-0931
  • 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 1309-0931 available by request