1309-0724 Screening compound: N~1~-[2,2,2-trichloro-1-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbothioyl}amino)ethyl]octanamide

1309-0724 Screening compound: N~1~-[2,2,2-trichloro-1-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbothioyl}amino)ethyl]octanamide
1309-0724 Screening compound: N~1~-[2,2,2-trichloro-1-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbothioyl}amino)ethyl]octanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1309-0724
N~1~-[2,2,2-trichloro-1-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbothioyl}amino)ethyl]octanamide

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

1309-0724

Molecular Formula

C15H26Cl3N3O3S2 (C15 H26 Cl3 N3 O3 S2)

Compound Name

N~1~-[2,2,2-trichloro-1-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbothioyl}amino)ethyl]octanamide

IUPAC name

N-(222-trichloro-1-{[(11-dioxo-1lambda6-thiolan-3-yl)carbamothioyl]amino}ethyl)octanamide

SMILES

CCCCCCCC(NC(C(Cl)(Cl)Cl)NC(NC(CC1)CS1(=O)=O)=S)=O

InChI

InChI=1S/C15H26Cl3N3O3S2/c1-2-3-4-5-6-7-12(22)20-13(15(16,17)18)21-14(25)19-11-8-9-26(23,24)10-11/h11,13H,2-10H2,1H3,(H,20,22)(H2,19,21,25)

InChI Key

FFIUNKWFNFHNLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00628268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.88

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.910

Distribution Coefficient, logD

2.884

Water Solubility, LogSw

-3.31

Polar Surface Area

72.903

Acid Dissociation Constant (pKa)

8.61

Base Dissociation Constant (pKb)

-5.28

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

86.70

1309-0724 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1309-0724 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1309-0724?
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What is the minimum amount of 1309-0724 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1309-0724
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1309-0724
  • 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 1309-0724 available by request