SB04-0331 Screening compound: N-{2-[(1-cyclopropanecarbonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-N-methyl-2-(3-methyl-1H-pyrazol-1-yl)acetamide

SB04-0331 Screening compound: N-{2-[(1-cyclopropanecarbonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-N-methyl-2-(3-methyl-1H-pyrazol-1-yl)acetamide
SB04-0331 Screening compound: N-{2-[(1-cyclopropanecarbonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-N-methyl-2-(3-methyl-1H-pyrazol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB04-0331
N-{2-[(1-cyclopropanecarbonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-N-methyl-2-(3-methyl-1H-pyrazol-1-yl)acetamide

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

SB04-0331

Molecular Formula

C22H35N5O3 (C22 H35 N5 O3)

Compound Name

N-{2-[(1-cyclopropanecarbonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-N-methyl-2-(3-methyl-1H-pyrazol-1-yl)acetamide

IUPAC name

N-{2-[(1-cyclopropanecarbonylpyrrolidin-3-yl)(oxan-4-yl)amino]ethyl}-N-methyl-2-(3-methyl-1H-pyrazol-1-yl)acetamide

SMILES

Cc1nn(CC(N(C)CCN(C(CC2)CN2C(C2CC2)=O)C2CCOCC2)=O)cc1

InChI

InChI=1S/C22H35N5O3/c1-17-5-10-26(23-17)16-21(28)24(2)11-12-27(19-7-13-30-14-8-19)20-6-9-25(15-20)22(29)18-3-4-18/h5,10,18-20H,3-4,6-9,11-16H2,1-2H3/t20-/m1/s1

InChI Key

NVCFUUAHAIQLAG-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD32246434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.346

Distribution Coefficient, logD

-0.469

Water Solubility, LogSw

-1.13

Polar Surface Area

57.565

Acid Dissociation Constant (pKa)

22.91

Base Dissociation Constant (pKb)

8.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

77.27

SB04-0331 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SB04-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB04-0331?
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What is the minimum amount of SB04-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB04-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB04-0331
  • 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 SB04-0331 available by request