SB14-1239 Screening compound: 2-methoxy-N-[1-(5,6,7,8-tetrahydro-2-naphthalenylsulfonyl)tetrahydro-1H-pyrrol-3-yl]-N-tetrahydro-2H-pyran-4-ylacetamide

SB14-1239 Screening compound: 2-methoxy-N-[1-(5,6,7,8-tetrahydro-2-naphthalenylsulfonyl)tetrahydro-1H-pyrrol-3-yl]-N-tetrahydro-2H-pyran-4-ylacetamide
SB14-1239 Screening compound: 2-methoxy-N-[1-(5,6,7,8-tetrahydro-2-naphthalenylsulfonyl)tetrahydro-1H-pyrrol-3-yl]-N-tetrahydro-2H-pyran-4-ylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB14-1239
2-methoxy-N-[1-(5,6,7,8-tetrahydro-2-naphthalenylsulfonyl)tetrahydro-1H-pyrrol-3-yl]-N-tetrahydro-2H-pyran-4-ylacetamide

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

SB14-1239

Molecular Formula

C22H32N2O5S (C22 H32 N2 O5 S)

Compound Name

2-methoxy-N-[1-(5,6,7,8-tetrahydro-2-naphthalenylsulfonyl)tetrahydro-1H-pyrrol-3-yl]-N-tetrahydro-2H-pyran-4-ylacetamide

IUPAC name

2-methoxy-N-(oxan-4-yl)-N-[1-(5678-tetrahydronaphthalene-2-sulfonyl)pyrrolidin-3-yl]acetamide

SMILES

COCC(N(C(CC1)CN1S(c1cc(CCCC2)c2cc1)(=O)=O)C1CCOCC1)=O

InChI

InChI=1S/C22H32N2O5S/c1-28-16-22(25)24(19-9-12-29-13-10-19)20-8-11-23(15-20)30(26,27)21-7-6-17-4-2-3-5-18(17)14-21/h6-7,14,19-20H,2-5,8-13,15-16H2,1H3/t20-/m1/s1

InChI Key

UVHOBRNMUGUBHL-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD32246397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.391

Distribution Coefficient, logD

2.391

Water Solubility, LogSw

-2.64

Polar Surface Area

62.591

Acid Dissociation Constant (pKa)

23.56

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.18

SB14-1239 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SB14-1239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB14-1239?
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What is the minimum amount of SB14-1239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB14-1239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB14-1239
  • 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 SB14-1239 available by request