T408-0987 Screening compound: N5-(3-chloro-4-fluorophenyl)-N2,N2-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

T408-0987 Screening compound: N5-(3-chloro-4-fluorophenyl)-N2,N2-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
T408-0987 Screening compound: N5-(3-chloro-4-fluorophenyl)-N2,N2-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-0987
N5-(3-chloro-4-fluorophenyl)-N2,N2-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

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

T408-0987

Molecular Formula

C18H18ClFN2O2S (C18 H18 ClFN2 O2 S)

Compound Name

N5-(3-chloro-4-fluorophenyl)-N2,N2-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

IUPAC name

N5-(3-chloro-4-fluorophenyl)-N2N2-dimethyl-4567-tetrahydro-1-benzothiophene-25-dicarboxamide

SMILES

CN(C)C(c1cc(CC(CC2)C(Nc(cc3)cc(Cl)c3F)=O)c2s1)=O

InChI

InChI=1S/C18H18ClFN2O2S/c1-22(2)18(24)16-8-11-7-10(3-6-15(11)25-16)17(23)21-12-4-5-14(20)13(19)9-12/h4-5,8-10H,3,6-7H2,1-2H3,(H,21,23)/t10-/m0/s1

InChI Key

NVCGKSHZQAIBFR-JTQLQIEISA-N

MDL Number (MFCD)

MFCD27620225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.319

Distribution Coefficient, logD

3.125

Water Solubility, LogSw

-3.64

Polar Surface Area

40.269

Acid Dissociation Constant (pKa)

7.65

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

T408-0987 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T408-0987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-0987?
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What is the minimum amount of T408-0987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-0987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-0987
  • 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 T408-0987 available by request