1309-1239 Screening compound: N-(2,2,2-trichloro-1-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)propanamide

1309-1239 Screening compound: N-(2,2,2-trichloro-1-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)propanamide
1309-1239 Screening compound: N-(2,2,2-trichloro-1-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1309-1239
N-(2,2,2-trichloro-1-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)propanamide

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

1309-1239

Molecular Formula

C15H17Cl3N4OS2 (C15 H17 Cl3 N4 OS2)

Compound Name

N-(2,2,2-trichloro-1-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)propanamide

IUPAC name

N-(222-trichloro-1-{[(3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)propanamide

SMILES

CCC(NC(C(Cl)(Cl)Cl)NC(Nc(sc1c2CCCC1)c2C#N)=S)=O

InChI

InChI=1S/C15H17Cl3N4OS2/c1-2-11(23)20-13(15(16,17)18)22-14(24)21-12-9(7-19)8-5-3-4-6-10(8)25-12/h13H,2-6H2,1H3,(H,20,23)(H2,21,22,24)/t13-/m0/s1

InChI Key

YZJBITSWPZLZLK-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD00548700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.854

Distribution Coefficient, logD

3.821

Water Solubility, LogSw

-4.61

Polar Surface Area

60.189

Acid Dissociation Constant (pKa)

8.50

Base Dissociation Constant (pKb)

-5.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.30

References: we are preparing a list of scientific research reports with 1309-1239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1309-1239?
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What is the minimum amount of 1309-1239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1309-1239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1309-1239
  • 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 1309-1239 available by request