SB14-0931 Screening compound: N-(oxan-4-yl)-N-(1-phenylmethanesulfonylpyrrolidin-3-yl)cyclopropanecarboxamide

SB14-0931 Screening compound: N-(oxan-4-yl)-N-(1-phenylmethanesulfonylpyrrolidin-3-yl)cyclopropanecarboxamide
SB14-0931 Screening compound: N-(oxan-4-yl)-N-(1-phenylmethanesulfonylpyrrolidin-3-yl)cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB14-0931
N-(oxan-4-yl)-N-(1-phenylmethanesulfonylpyrrolidin-3-yl)cyclopropanecarboxamide

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

SB14-0931

Molecular Formula

C20H28N2O4S (C20 H28 N2 O4 S)

Compound Name

N-(oxan-4-yl)-N-(1-phenylmethanesulfonylpyrrolidin-3-yl)cyclopropanecarboxamide

IUPAC name

N-(oxan-4-yl)-N-(1-phenylmethanesulfonylpyrrolidin-3-yl)cyclopropanecarboxamide

SMILES

O=C(C1CC1)N(C(CC1)CN1S(Cc1ccccc1)(=O)=O)C1CCOCC1

InChI

InChI=1S/C20H28N2O4S/c23-20(17-6-7-17)22(18-9-12-26-13-10-18)19-8-11-21(14-19)27(24,25)15-16-4-2-1-3-5-16/h1-5,17-19H,6-15H2/t19-/m1/s1

InChI Key

QEDDQDUJRVPTEK-LJQANCHMSA-N

MDL Number (MFCD)

MFCD32246043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.728

Distribution Coefficient, logD

1.728

Water Solubility, LogSw

-2.18

Polar Surface Area

54.920

Acid Dissociation Constant (pKa)

20.60

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

SB14-0931 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB14-0931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB14-0931?
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What is the minimum amount of SB14-0931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB14-0931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB14-0931
  • 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 SB14-0931 available by request