SB14-0946 Screening compound: N-{1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl}-N-(oxan-4-yl)cyclopropanecarboxamide

SB14-0946 Screening compound: N-{1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl}-N-(oxan-4-yl)cyclopropanecarboxamide
SB14-0946 Screening compound: N-{1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl}-N-(oxan-4-yl)cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB14-0946
N-{1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl}-N-(oxan-4-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

SB14-0946

Molecular Formula

C22H30N2O4 (C22 H30 N2 O4)

Compound Name

N-{1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl}-N-(oxan-4-yl)cyclopropanecarboxamide

IUPAC name

N-{1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl}-N-(oxan-4-yl)cyclopropanecarboxamide

SMILES

COc1cccc(CC(N(CC2)CC2N(C2CCOCC2)C(C2CC2)=O)=O)c1

InChI

InChI=1S/C22H30N2O4/c1-27-20-4-2-3-16(13-20)14-21(25)23-10-7-19(15-23)24(22(26)17-5-6-17)18-8-11-28-12-9-18/h2-4,13,17-19H,5-12,14-15H2,1H3/t19-/m0/s1

InChI Key

PDURWQONUIOPTB-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32246123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.281

Distribution Coefficient, logD

2.281

Water Solubility, LogSw

-2.48

Polar Surface Area

46.979

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.64

SB14-0946 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 SB14-0946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB14-0946?
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What is the minimum amount of SB14-0946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB14-0946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB14-0946
  • 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 SB14-0946 available by request