T408-1985 Screening compound: N,N-dimethyl-5-(4-phenylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

T408-1985 Screening compound: N,N-dimethyl-5-(4-phenylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
T408-1985 Screening compound: N,N-dimethyl-5-(4-phenylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-1985
N,N-dimethyl-5-(4-phenylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

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

T408-1985

Molecular Formula

C22H27N3O2S (C22 H27 N3 O2 S)

Compound Name

N,N-dimethyl-5-(4-phenylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

IUPAC name

NN-dimethyl-5-(4-phenylpiperazine-1-carbonyl)-4567-tetrahydro-1-benzothiophene-2-carboxamide

SMILES

CN(C)C(c1cc(CC(CC2)C(N(CC3)CCN3c3ccccc3)=O)c2s1)=O

InChI

InChI=1S/C22H27N3O2S/c1-23(2)22(27)20-15-17-14-16(8-9-19(17)28-20)21(26)25-12-10-24(11-13-25)18-6-4-3-5-7-18/h3-7,15-16H,8-14H2,1-2H3/t16-/m1/s1

InChI Key

AYTMYGHSVNUTNX-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27620358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.772

Distribution Coefficient, logD

2.772

Water Solubility, LogSw

-3.14

Polar Surface Area

37.087

Acid Dissociation Constant (pKa)

21.06

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

T408-1985 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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 T408-1985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-1985?
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What is the minimum amount of T408-1985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-1985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-1985
  • 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 T408-1985 available by request