T408-0913 Screening compound: N5-(3-chloro-4-methoxyphenyl)-N2,N2-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

T408-0913 Screening compound: N5-(3-chloro-4-methoxyphenyl)-N2,N2-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
T408-0913 Screening compound: N5-(3-chloro-4-methoxyphenyl)-N2,N2-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-0913
N5-(3-chloro-4-methoxyphenyl)-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

T408-0913

Molecular Formula

C19H21ClN2O3S (C19 H21 ClN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C)C(c1cc(CC(CC2)C(Nc(cc3)cc(Cl)c3OC)=O)c2s1)=O

InChI

InChI=1S/C19H21ClN2O3S/c1-22(2)19(24)17-9-12-8-11(4-7-16(12)26-17)18(23)21-13-5-6-15(25-3)14(20)10-13/h5-6,9-11H,4,7-8H2,1-3H3,(H,21,23)/t11-/m0/s1

InChI Key

XGYFCODNKRNMKN-NSHDSACASA-N

MDL Number (MFCD)

MFCD27620200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.099

Distribution Coefficient, logD

3.091

Water Solubility, LogSw

-3.53

Polar Surface Area

47.900

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

T408-0913 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T408-0913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-0913?
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What is the minimum amount of T408-0913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-0913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-0913
  • 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 T408-0913 available by request