K906-2749 Screening compound: 2-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]-N-cycloheptylacetamide

K906-2749 Screening compound: 2-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]-N-cycloheptylacetamide
K906-2749 Screening compound: 2-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]-N-cycloheptylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-2749
2-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]-N-cycloheptylacetamide

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

K906-2749

Molecular Formula

C22H27FN2O2 (C22 H27 FN2 O2)

Compound Name

2-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]-N-cycloheptylacetamide

IUPAC name

2-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]-N-cycloheptylacetamide

SMILES

CC(c1c(C)n(CC(NC2CCCCCC2)=O)c(-c(cc2)ccc2F)c1)=O

InChI

InChI=1S/C22H27FN2O2/c1-15-20(16(2)26)13-21(17-9-11-18(23)12-10-17)25(15)14-22(27)24-19-7-5-3-4-6-8-19/h9-13,19H,3-8,14H2,1-2H3,(H,24,27)

InChI Key

FTQNRZDIUCMOHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15112954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.623

Distribution Coefficient, logD

4.623

Water Solubility, LogSw

-4.36

Polar Surface Area

39.272

Acid Dissociation Constant (pKa)

14.69

Base Dissociation Constant (pKb)

3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

K906-2749 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K906-2749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-2749?
Check Price and Availability of K906-2749, 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 K906-2749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-2749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-2749
  • 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 K906-2749 available by request