1309-0182 Screening compound: 4-methyl-N-{2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl}benzamide

1309-0182 Screening compound: 4-methyl-N-{2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl}benzamide
1309-0182 Screening compound: 4-methyl-N-{2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1309-0182
4-methyl-N-{2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)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

1309-0182

Molecular Formula

C19H18Cl3N3OS (C19 H18 Cl3 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C(NC(C(Cl)(Cl)Cl)Nc(sc1c2CCCC1)c2C#N)=O

InChI

InChI=1S/C19H18Cl3N3OS/c1-11-6-8-12(9-7-11)16(26)24-18(19(20,21)22)25-17-14(10-23)13-4-2-3-5-15(13)27-17/h6-9,18,25H,2-5H2,1H3,(H,24,26)/t18-/m0/s1

InChI Key

YNZGDDLQVZDYAZ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD00640456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.8

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.244

Distribution Coefficient, logD

4.984

Water Solubility, LogSw

-5.83

Polar Surface Area

50.221

Acid Dissociation Constant (pKa)

7.48

Base Dissociation Constant (pKb)

-6.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with 1309-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1309-0182?
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What is the minimum amount of 1309-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1309-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1309-0182
  • 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 1309-0182 available by request