T408-1998 Screening compound: N,N-dimethyl-5-[4-(2-methylpropyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

T408-1998 Screening compound: N,N-dimethyl-5-[4-(2-methylpropyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
T408-1998 Screening compound: N,N-dimethyl-5-[4-(2-methylpropyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-1998
N,N-dimethyl-5-[4-(2-methylpropyl)piperazine-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

T408-1998

Molecular Formula

C20H31N3O2S (C20 H31 N3 O2 S)

Compound Name

N,N-dimethyl-5-[4-(2-methylpropyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

IUPAC name

NN-dimethyl-5-[4-(2-methylpropyl)piperazine-1-carbonyl]-4567-tetrahydro-1-benzothiophene-2-carboxamide

SMILES

CC(C)CN(CC1)CCN1C(C(CC1)Cc2c1sc(C(N(C)C)=O)c2)=O

InChI

InChI=1S/C20H31N3O2S/c1-14(2)13-22-7-9-23(10-8-22)19(24)15-5-6-17-16(11-15)12-18(26-17)20(25)21(3)4/h12,14-15H,5-11,13H2,1-4H3/t15-/m1/s1

InChI Key

KXWMVPZAVHINOG-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD27620371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.230

Distribution Coefficient, logD

1.767

Water Solubility, LogSw

-2.48

Polar Surface Area

37.638

Acid Dissociation Constant (pKa)

21.06

Base Dissociation Constant (pKb)

7.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.00

T408-1998 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T408-1998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-1998?
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What is the minimum amount of T408-1998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-1998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-1998
  • 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 T408-1998 available by request