E641-0452 Screening compound: 3-(1-acetylpiperidin-4-yl)-1-(3,4-dimethylphenyl)-3-[(furan-2-yl)methyl]urea

E641-0452 Screening compound: 3-(1-acetylpiperidin-4-yl)-1-(3,4-dimethylphenyl)-3-[(furan-2-yl)methyl]urea
E641-0452 Screening compound: 3-(1-acetylpiperidin-4-yl)-1-(3,4-dimethylphenyl)-3-[(furan-2-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E641-0452
3-(1-acetylpiperidin-4-yl)-1-(3,4-dimethylphenyl)-3-[(furan-2-yl)methyl]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

E641-0452

Molecular Formula

C21H27N3O3 (C21 H27 N3 O3)

Compound Name

3-(1-acetylpiperidin-4-yl)-1-(3,4-dimethylphenyl)-3-[(furan-2-yl)methyl]urea

IUPAC name

3-(1-acetylpiperidin-4-yl)-1-(34-dimethylphenyl)-3-[(furan-2-yl)methyl]urea

SMILES

CC(N(CC1)CCC1N(Cc1ccco1)C(Nc1cc(C)c(C)cc1)=O)=O

InChI

InChI=1S/C21H27N3O3/c1-15-6-7-18(13-16(15)2)22-21(26)24(14-20-5-4-12-27-20)19-8-10-23(11-9-19)17(3)25/h4-7,12-13,19H,8-11,14H2,1-3H3,(H,22,26)

InChI Key

FCHGMYSNSUVANQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.882

Distribution Coefficient, logD

3.882

Water Solubility, LogSw

-3.82

Polar Surface Area

49.188

Acid Dissociation Constant (pKa)

14.62

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with E641-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E641-0452?
Check Price and Availability of E641-0452, 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 E641-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E641-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E641-0452
  • 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 E641-0452 available by request