K780-0974 Screening compound: 1-[4-(chloromethyl)-1-methyl-1H-pyrrol-2-yl]-2,2,2-trifluoroethan-1-one

K780-0974 Screening compound: 1-[4-(chloromethyl)-1-methyl-1H-pyrrol-2-yl]-2,2,2-trifluoroethan-1-one
K780-0974 Screening compound: 1-[4-(chloromethyl)-1-methyl-1H-pyrrol-2-yl]-2,2,2-trifluoroethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K780-0974
1-[4-(chloromethyl)-1-methyl-1H-pyrrol-2-yl]-2,2,2-trifluoroethan-1-one

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

K780-0974

Molecular Formula

C8H7ClF3NO (C8 H7 ClF3 NO)

Compound Name

1-[4-(chloromethyl)-1-methyl-1H-pyrrol-2-yl]-2,2,2-trifluoroethan-1-one

IUPAC name

1-[4-(chloromethyl)-1-methyl-1H-pyrrol-2-yl]-222-trifluoroethan-1-one

SMILES

Cn1c(C(C(F)(F)F)=O)cc(CCl)c1

InChI

InChI=1S/C8H7ClF3NO/c1-13-4-5(3-9)2-6(13)7(14)8(10,11)12/h2,4H,3H2,1H3

InChI Key

QBZKNVFAHMFTPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28992909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

225.6

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.031

Distribution Coefficient, logD

2.031

Water Solubility, LogSw

-2.15

Polar Surface Area

16.287

Acid Dissociation Constant (pKa)

27.00

Base Dissociation Constant (pKb)

-2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

K780-0974 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K780-0974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K780-0974?
Check Price and Availability of K780-0974, 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 K780-0974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K780-0974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K780-0974
  • 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 K780-0974 available by request