T408-1042 Screening compound: N5-(4-methoxy-2-methylphenyl)-N2,N2-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

T408-1042 Screening compound: N5-(4-methoxy-2-methylphenyl)-N2,N2-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
T408-1042 Screening compound: N5-(4-methoxy-2-methylphenyl)-N2,N2-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-1042
N5-(4-methoxy-2-methylphenyl)-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

T408-1042

Molecular Formula

C20H24N2O3S (C20 H24 N2 O3 S)

Compound Name

N5-(4-methoxy-2-methylphenyl)-N2,N2-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

IUPAC name

N5-(4-methoxy-2-methylphenyl)-N2N2-dimethyl-4567-tetrahydro-1-benzothiophene-25-dicarboxamide

SMILES

Cc(cc(cc1)OC)c1NC(C(CC1)Cc2c1sc(C(N(C)C)=O)c2)=O

InChI

InChI=1S/C20H24N2O3S/c1-12-9-15(25-4)6-7-16(12)21-19(23)13-5-8-17-14(10-13)11-18(26-17)20(24)22(2)3/h6-7,9,11,13H,5,8,10H2,1-4H3,(H,21,23)/t13-/m1/s1

InChI Key

UFKNFMRAQZGMIS-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD27620239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.49

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

2.916

Distribution Coefficient, logD

2.916

Water Solubility, LogSw

-3.37

Polar Surface Area

47.115

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

T408-1042 in Drug Discovery

Included in Screening Libraries

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 T408-1042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-1042?
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What is the minimum amount of T408-1042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-1042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-1042
  • 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 T408-1042 available by request