E002-1643 Screening compound: 3-(1-acetylpiperidin-4-yl)-1-(3-fluoro-4-methylphenyl)-3-(propan-2-yl)urea

E002-1643 Screening compound: 3-(1-acetylpiperidin-4-yl)-1-(3-fluoro-4-methylphenyl)-3-(propan-2-yl)urea
E002-1643 Screening compound: 3-(1-acetylpiperidin-4-yl)-1-(3-fluoro-4-methylphenyl)-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-1643
3-(1-acetylpiperidin-4-yl)-1-(3-fluoro-4-methylphenyl)-3-(propan-2-yl)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

E002-1643

Molecular Formula

C18H26FN3O2 (C18 H26 FN3 O2)

Compound Name

3-(1-acetylpiperidin-4-yl)-1-(3-fluoro-4-methylphenyl)-3-(propan-2-yl)urea

IUPAC name

3-(1-acetylpiperidin-4-yl)-1-(3-fluoro-4-methylphenyl)-3-(propan-2-yl)urea

SMILES

CC(C)N(C(CC1)CCN1C(C)=O)C(Nc1cc(F)c(C)cc1)=O

InChI

InChI=1S/C18H26FN3O2/c1-12(2)22(16-7-9-21(10-8-16)14(4)23)18(24)20-15-6-5-13(3)17(19)11-15/h5-6,11-12,16H,7-10H2,1-4H3,(H,20,24)

InChI Key

NCTBJBUPNQZOLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14835421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.246

Distribution Coefficient, logD

3.246

Water Solubility, LogSw

-3.32

Polar Surface Area

41.562

Acid Dissociation Constant (pKa)

12.92

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

E002-1643 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E002-1643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-1643?
Check Price and Availability of E002-1643, 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 E002-1643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-1643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-1643
  • 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 E002-1643 available by request