6466-0117 Screening compound: N-[3-chloro-4-(1H-pyrrol-1-yl)phenyl]-2-[3-(trifluoromethyl)-1H,4H,5H,6H-cyclopenta[c]pyrazol-1-yl]acetamide

6466-0117 Screening compound: N-[3-chloro-4-(1H-pyrrol-1-yl)phenyl]-2-[3-(trifluoromethyl)-1H,4H,5H,6H-cyclopenta[c]pyrazol-1-yl]acetamide
6466-0117 Screening compound: N-[3-chloro-4-(1H-pyrrol-1-yl)phenyl]-2-[3-(trifluoromethyl)-1H,4H,5H,6H-cyclopenta[c]pyrazol-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0117
N-[3-chloro-4-(1H-pyrrol-1-yl)phenyl]-2-[3-(trifluoromethyl)-1H,4H,5H,6H-cyclopenta[c]pyrazol-1-yl]acetamide

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

6466-0117

Molecular Formula

C19H16ClF3N4O (C19 H16 ClF3 N4 O)

Compound Name

N-[3-chloro-4-(1H-pyrrol-1-yl)phenyl]-2-[3-(trifluoromethyl)-1H,4H,5H,6H-cyclopenta[c]pyrazol-1-yl]acetamide

IUPAC name

N-[3-chloro-4-(1H-pyrrol-1-yl)phenyl]-2-[3-(trifluoromethyl)-1H4H5H6H-cyclopenta[c]pyrazol-1-yl]acetamide

SMILES

O=C(Cn1nc(C(F)(F)F)c2c1CCC2)Nc(cc1)cc(Cl)c1-n1cccc1

InChI

InChI=1S/C19H16ClF3N4O/c20-14-10-12(6-7-16(14)26-8-1-2-9-26)24-17(28)11-27-15-5-3-4-13(15)18(25-27)19(21,22)23/h1-2,6-10H,3-5,11H2,(H,24,28)

InChI Key

YDFHMWCZULRRJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02732484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.81

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.314

Distribution Coefficient, logD

4.314

Water Solubility, LogSw

-4.59

Polar Surface Area

41.819

Acid Dissociation Constant (pKa)

10.40

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

6466-0117 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 6466-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0117?
Check Price and Availability of 6466-0117, 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 6466-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0117
  • 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 6466-0117 available by request