K906-2731 Screening compound: 3-(3-acetyl-2-methyl-5-phenyl-1H-pyrrol-1-yl)-N-(2-methylbutan-2-yl)propanamide

K906-2731 Screening compound: 3-(3-acetyl-2-methyl-5-phenyl-1H-pyrrol-1-yl)-N-(2-methylbutan-2-yl)propanamide
K906-2731 Screening compound: 3-(3-acetyl-2-methyl-5-phenyl-1H-pyrrol-1-yl)-N-(2-methylbutan-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-2731
3-(3-acetyl-2-methyl-5-phenyl-1H-pyrrol-1-yl)-N-(2-methylbutan-2-yl)propanamide

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

K906-2731

Molecular Formula

C21H28N2O2 (C21 H28 N2 O2)

Compound Name

3-(3-acetyl-2-methyl-5-phenyl-1H-pyrrol-1-yl)-N-(2-methylbutan-2-yl)propanamide

IUPAC name

3-(3-acetyl-2-methyl-5-phenyl-1H-pyrrol-1-yl)-N-(2-methylbutan-2-yl)propanamide

SMILES

CCC(C)(C)NC(CCn1c(-c2ccccc2)cc(C(C)=O)c1C)=O

InChI

InChI=1S/C21H28N2O2/c1-6-21(4,5)22-20(25)12-13-23-15(2)18(16(3)24)14-19(23)17-10-8-7-9-11-17/h7-11,14H,6,12-13H2,1-5H3,(H,22,25)

InChI Key

GAIHXJARUZUZBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15112939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.693

Distribution Coefficient, logD

3.693

Water Solubility, LogSw

-3.91

Polar Surface Area

38.757

Acid Dissociation Constant (pKa)

15.13

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

K906-2731 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Structure:
  • Pool
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with K906-2731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-2731?
Check Price and Availability of K906-2731, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K906-2731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-2731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-2731
  • 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 K906-2731 available by request