K906-3229 Screening compound: ethyl 1-{3-[(3-chloro-2-methylphenyl)carbamoyl]propyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate

K906-3229 Screening compound: ethyl 1-{3-[(3-chloro-2-methylphenyl)carbamoyl]propyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
K906-3229 Screening compound: ethyl 1-{3-[(3-chloro-2-methylphenyl)carbamoyl]propyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-3229
ethyl 1-{3-[(3-chloro-2-methylphenyl)carbamoyl]propyl}-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

K906-3229

Molecular Formula

C25H27ClN2O3 (C25 H27 ClN2 O3)

Compound Name

ethyl 1-{3-[(3-chloro-2-methylphenyl)carbamoyl]propyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 1-{3-[(3-chloro-2-methylphenyl)carbamoyl]propyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)n(CCCC(Nc2cccc(Cl)c2C)=O)c(-c2ccccc2)c1)=O

InChI

InChI=1S/C25H27ClN2O3/c1-4-31-25(30)20-16-23(19-10-6-5-7-11-19)28(18(20)3)15-9-14-24(29)27-22-13-8-12-21(26)17(22)2/h5-8,10-13,16H,4,9,14-15H2,1-3H3,(H,27,29)

InChI Key

JVYKKCTULUTJKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.426

Distribution Coefficient, logD

5.422

Water Solubility, LogSw

-5.78

Polar Surface Area

44.101

Acid Dissociation Constant (pKa)

9.46

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

K906-3229 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

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 K906-3229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-3229?
Check Price and Availability of K906-3229, 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 K906-3229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-3229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-3229
  • 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 K906-3229 available by request