K906-2020 Screening compound: ethyl 1-[3-(cyclooctylcarbamoyl)phenyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate

K906-2020 Screening compound: ethyl 1-[3-(cyclooctylcarbamoyl)phenyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
K906-2020 Screening compound: ethyl 1-[3-(cyclooctylcarbamoyl)phenyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-2020
ethyl 1-[3-(cyclooctylcarbamoyl)phenyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate

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

K906-2020

Molecular Formula

C29H34N2O3 (C29 H34 N2 O3)

Compound Name

ethyl 1-[3-(cyclooctylcarbamoyl)phenyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 1-[3-(cyclooctylcarbamoyl)phenyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate

SMILES

CCOC(c(cc1-c2ccccc2)c(C)n1-c1cccc(C(NC2CCCCCCC2)=O)c1)=O

InChI

InChI=1S/C29H34N2O3/c1-3-34-29(33)26-20-27(22-13-8-7-9-14-22)31(21(26)2)25-18-12-15-23(19-25)28(32)30-24-16-10-5-4-6-11-17-24/h7-9,12-15,18-20,24H,3-6,10-11,16-17H2,1-2H3,(H,30,32)

InChI Key

FXYGGHDRSCLFAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15112663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.079

Distribution Coefficient, logD

7.079

Water Solubility, LogSw

-5.66

Polar Surface Area

46.884

Acid Dissociation Constant (pKa)

13.64

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

K906-2020 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K906-2020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-2020?
Check Price and Availability of K906-2020, 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 K906-2020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-2020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-2020
  • 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 K906-2020 available by request