E641-1297 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(1-benzylpiperidin-4-yl)-3-cyclopentylurea

E641-1297 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(1-benzylpiperidin-4-yl)-3-cyclopentylurea
E641-1297 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(1-benzylpiperidin-4-yl)-3-cyclopentylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound E641-1297
1-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(1-benzylpiperidin-4-yl)-3-cyclopentylurea

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

E641-1297

Molecular Formula

C26H33N3O3 (C26 H33 N3 O3)

Compound Name

1-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(1-benzylpiperidin-4-yl)-3-cyclopentylurea

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-1-(1-benzylpiperidin-4-yl)-3-cyclopentylurea

SMILES

O=C(NC1CCCC1)N(Cc(cc1)cc2c1OCO2)C1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C26H33N3O3/c30-26(27-22-8-4-5-9-22)29(18-21-10-11-24-25(16-21)32-19-31-24)23-12-14-28(15-13-23)17-20-6-2-1-3-7-20/h1-3,6-7,10-11,16,22-23H,4-5,8-9,12-15,17-19H2,(H,27,30)

InChI Key

JRHYVMSNPMZETH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.57

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

4.848

Distribution Coefficient, logD

4.001

Water Solubility, LogSw

-4.79

Polar Surface Area

46.313

Acid Dissociation Constant (pKa)

18.33

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E641-1297 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Anti-HIV1 Library (19540 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E641-1297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E641-1297?
Check Price and Availability of E641-1297, 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 E641-1297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E641-1297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E641-1297
  • 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 E641-1297 available by request