E641-2201 Screening compound: 3-(1-acetylpiperidin-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-methylfuran-2-yl)methyl]urea

E641-2201 Screening compound: 3-(1-acetylpiperidin-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-methylfuran-2-yl)methyl]urea
E641-2201 Screening compound: 3-(1-acetylpiperidin-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-methylfuran-2-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E641-2201
3-(1-acetylpiperidin-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-methylfuran-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

E641-2201

Molecular Formula

C22H27N3O5 (C22 H27 N3 O5)

Compound Name

3-(1-acetylpiperidin-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-methylfuran-2-yl)methyl]urea

IUPAC name

3-(1-acetylpiperidin-4-yl)-1-(23-dihydro-14-benzodioxin-6-yl)-3-[(5-methylfuran-2-yl)methyl]urea

SMILES

CC(N(CC1)CCC1N(Cc1ccc(C)o1)C(Nc(cc1)cc2c1OCCO2)=O)=O

InChI

InChI=1S/C22H27N3O5/c1-15-3-5-19(30-15)14-25(18-7-9-24(10-8-18)16(2)26)22(27)23-17-4-6-20-21(13-17)29-12-11-28-20/h3-6,13,18H,7-12,14H2,1-2H3,(H,23,27)

InChI Key

JDPCNAVHEFIZSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.218

Distribution Coefficient, logD

2.218

Water Solubility, LogSw

-2.92

Polar Surface Area

64.525

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

E641-2201 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E641-2201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E641-2201?
Check Price and Availability of E641-2201, 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 E641-2201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E641-2201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E641-2201
  • 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 E641-2201 available by request