D356-2468 Screening compound: ethyl 2-[1-(thiophene-2-sulfonyl)piperidine-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

D356-2468 Screening compound: ethyl 2-[1-(thiophene-2-sulfonyl)piperidine-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
D356-2468 Screening compound: ethyl 2-[1-(thiophene-2-sulfonyl)piperidine-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D356-2468
ethyl 2-[1-(thiophene-2-sulfonyl)piperidine-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

D356-2468

Molecular Formula

C21H26N2O5S3 (C21 H26 N2 O5 S3)

Compound Name

ethyl 2-[1-(thiophene-2-sulfonyl)piperidine-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-[1-(thiophene-2-sulfonyl)piperidine-3-amido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C(CCC2)CN2S(c2cccs2)(=O)=O)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C21H26N2O5S3/c1-2-28-21(25)18-15-8-3-4-9-16(15)30-20(18)22-19(24)14-7-5-11-23(13-14)31(26,27)17-10-6-12-29-17/h6,10,12,14H,2-5,7-9,11,13H2,1H3,(H,22,24)/t14-/m0/s1

InChI Key

VVCAPVQLIBKCTC-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD08929237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.495

Distribution Coefficient, logD

0.104

Water Solubility, LogSw

-3.78

Polar Surface Area

76.461

Acid Dissociation Constant (pKa)

4.01

Base Dissociation Constant (pKb)

-4.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

D356-2468 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with D356-2468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D356-2468?
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What is the minimum amount of D356-2468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D356-2468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D356-2468
  • 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 D356-2468 available by request