E641-1121 Screening compound: 1-(1-acetylpiperidin-4-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-methoxyphenyl)methyl]urea

E641-1121 Screening compound: 1-(1-acetylpiperidin-4-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-methoxyphenyl)methyl]urea
E641-1121 Screening compound: 1-(1-acetylpiperidin-4-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-methoxyphenyl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E641-1121
1-(1-acetylpiperidin-4-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-methoxyphenyl)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

E641-1121

Molecular Formula

C24H29N3O5 (C24 H29 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

CC(N(CC1)CCC1N(Cc(cc1)ccc1OC)C(Nc(cc1)cc2c1OCCO2)=O)=O

InChI

InChI=1S/C24H29N3O5/c1-17(28)26-11-9-20(10-12-26)27(16-18-3-6-21(30-2)7-4-18)24(29)25-19-5-8-22-23(15-19)32-14-13-31-22/h3-8,15,20H,9-14,16H2,1-2H3,(H,25,29)

InChI Key

NBVOMAIOGZHGQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.280

Distribution Coefficient, logD

2.280

Water Solubility, LogSw

-2.97

Polar Surface Area

64.806

Acid Dissociation Constant (pKa)

13.41

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

E641-1121 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E641-1121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E641-1121?
Check Price and Availability of E641-1121, 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 E641-1121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E641-1121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E641-1121
  • 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 E641-1121 available by request