K780-1128 Screening compound: 1-(2-fluorophenyl)-1H-pyrrole-2-carbonitrile

K780-1128 Screening compound: 1-(2-fluorophenyl)-1H-pyrrole-2-carbonitrile
K780-1128 Screening compound: 1-(2-fluorophenyl)-1H-pyrrole-2-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound K780-1128
1-(2-fluorophenyl)-1H-pyrrole-2-carbonitrile

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

K780-1128

Molecular Formula

C11H7FN2 (C11 H7 FN2)

Compound Name

1-(2-fluorophenyl)-1H-pyrrole-2-carbonitrile

IUPAC name

1-(2-fluorophenyl)-1H-pyrrole-2-carbonitrile

SMILES

N#Cc1cccn1-c(cccc1)c1F

InChI

InChI=1S/C11H7FN2/c12-10-5-1-2-6-11(10)14-7-3-4-9(14)8-13/h1-7H

InChI Key

YTAHCFFGNTUWGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01443737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

186.19

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.711

Distribution Coefficient, logD

2.711

Water Solubility, LogSw

-2.81

Polar Surface Area

19.523

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

K780-1128 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K780-1128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K780-1128?
Check Price and Availability of K780-1128, 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 K780-1128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K780-1128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K780-1128
  • 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 K780-1128 available by request