K780-1026 Screening compound: methyl 2-(2-benzoyl-1H-pyrrol-1-yl)acetate

K780-1026 Screening compound: methyl 2-(2-benzoyl-1H-pyrrol-1-yl)acetate
K780-1026 Screening compound: methyl 2-(2-benzoyl-1H-pyrrol-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K780-1026
methyl 2-(2-benzoyl-1H-pyrrol-1-yl)acetate

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

K780-1026

Molecular Formula

C14H13NO3 (C14 H13 NO3)

Compound Name

methyl 2-(2-benzoyl-1H-pyrrol-1-yl)acetate

IUPAC name

methyl 2-(2-benzoyl-1H-pyrrol-1-yl)acetate

SMILES

COC(Cn1c(C(c2ccccc2)=O)ccc1)=O

InChI

InChI=1S/C14H13NO3/c1-18-13(16)10-15-9-5-8-12(15)14(17)11-6-3-2-4-7-11/h2-9H,10H2,1H3

InChI Key

SGOFLVYVFVOKJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14281052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

243.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.307

Distribution Coefficient, logD

2.307

Water Solubility, LogSw

-2.40

Polar Surface Area

36.145

Acid Dissociation Constant (pKa)

21.42

Base Dissociation Constant (pKb)

-4.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

K780-1026 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K780-1026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K780-1026?
Check Price and Availability of K780-1026, 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 K780-1026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K780-1026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K780-1026
  • 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 K780-1026 available by request