S213-1554 Screening compound: 5-chloro-N~2~-propyl-N~2~-(tetrahydro-3-furanylmethyl)-2-thiophenecarboxamide

S213-1554 Screening compound: 5-chloro-N~2~-propyl-N~2~-(tetrahydro-3-furanylmethyl)-2-thiophenecarboxamide
S213-1554 Screening compound: 5-chloro-N~2~-propyl-N~2~-(tetrahydro-3-furanylmethyl)-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S213-1554
5-chloro-N~2~-propyl-N~2~-(tetrahydro-3-furanylmethyl)-2-thiophenecarboxamide

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

S213-1554

Molecular Formula

C13H18ClNO2S (C13 H18 ClNO2 S)

Compound Name

5-chloro-N~2~-propyl-N~2~-(tetrahydro-3-furanylmethyl)-2-thiophenecarboxamide

IUPAC name

5-chloro-N-[(oxolan-3-yl)methyl]-N-propylthiophene-2-carboxamide

SMILES

CCCN(CC1COCC1)C(c(s1)ccc1Cl)=O

InChI

InChI=1S/C13H18ClNO2S/c1-2-6-15(8-10-5-7-17-9-10)13(16)11-3-4-12(14)18-11/h3-4,10H,2,5-9H2,1H3/t10-/m1/s1

InChI Key

VQBWNKVDIFZXEM-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD29003230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.81

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.388

Distribution Coefficient, logD

3.388

Water Solubility, LogSw

-3.63

Polar Surface Area

26.411

Acid Dissociation Constant (pKa)

25.50

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.54

S213-1554 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S213-1554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S213-1554?
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What is the minimum amount of S213-1554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S213-1554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S213-1554
  • 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 S213-1554 available by request