E641-2197 Screening compound: 3-(1-acetylpiperidin-4-yl)-3-[(5-methylfuran-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]urea

E641-2197 Screening compound: 3-(1-acetylpiperidin-4-yl)-3-[(5-methylfuran-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]urea
E641-2197 Screening compound: 3-(1-acetylpiperidin-4-yl)-3-[(5-methylfuran-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E641-2197
3-(1-acetylpiperidin-4-yl)-3-[(5-methylfuran-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]urea

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

E641-2197

Molecular Formula

C21H24F3N3O3 (C21 H24 F3 N3 O3)

Compound Name

3-(1-acetylpiperidin-4-yl)-3-[(5-methylfuran-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]urea

IUPAC name

3-(1-acetylpiperidin-4-yl)-3-[(5-methylfuran-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]urea

SMILES

CC(N(CC1)CCC1N(Cc1ccc(C)o1)C(Nc1cccc(C(F)(F)F)c1)=O)=O

InChI

InChI=1S/C21H24F3N3O3/c1-14-6-7-19(30-14)13-27(18-8-10-26(11-9-18)15(2)28)20(29)25-17-5-3-4-16(12-17)21(22,23)24/h3-7,12,18H,8-11,13H2,1-2H3,(H,25,29)

InChI Key

RYMNUPWSGOARGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.289

Distribution Coefficient, logD

4.289

Water Solubility, LogSw

-4.30

Polar Surface Area

48.702

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

E641-2197 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 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

References: we are preparing a list of scientific research reports with E641-2197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E641-2197?
Check Price and Availability of E641-2197, 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 E641-2197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E641-2197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E641-2197
  • 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 E641-2197 available by request