T408-0627 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

T408-0627 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
T408-0627 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-0627
N-[(2,5-dimethoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-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

T408-0627

Molecular Formula

C23H28N2O4S (C23 H28 N2 O4 S)

Compound Name

N-[(2,5-dimethoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

IUPAC name

N-[(25-dimethoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-4567-tetrahydro-1-benzothiophene-5-carboxamide

SMILES

COc(cc1)cc(CNC(C(CC2)Cc3c2sc(C(N2CCCC2)=O)c3)=O)c1OC

InChI

InChI=1S/C23H28N2O4S/c1-28-18-6-7-19(29-2)17(12-18)14-24-22(26)15-5-8-20-16(11-15)13-21(30-20)23(27)25-9-3-4-10-25/h6-7,12-13,15H,3-5,8-11,14H2,1-2H3,(H,24,26)/t15-/m1/s1

InChI Key

URWWOYNCOKSSOX-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD27620148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.614

Distribution Coefficient, logD

3.614

Water Solubility, LogSw

-3.78

Polar Surface Area

57.779

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

T408-0627 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 T408-0627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-0627?
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What is the minimum amount of T408-0627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-0627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-0627
  • 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 T408-0627 available by request