E641-1109 Screening compound: methyl 2-{[(1-acetylpiperidin-4-yl)[(4-methoxyphenyl)methyl]carbamoyl]amino}-4-chlorobenzoate

E641-1109 Screening compound: methyl 2-{[(1-acetylpiperidin-4-yl)[(4-methoxyphenyl)methyl]carbamoyl]amino}-4-chlorobenzoate
E641-1109 Screening compound: methyl 2-{[(1-acetylpiperidin-4-yl)[(4-methoxyphenyl)methyl]carbamoyl]amino}-4-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E641-1109
methyl 2-{[(1-acetylpiperidin-4-yl)[(4-methoxyphenyl)methyl]carbamoyl]amino}-4-chlorobenzoate

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

E641-1109

Molecular Formula

C24H28ClN3O5 (C24 H28 ClN3 O5)

Compound Name

methyl 2-{[(1-acetylpiperidin-4-yl)[(4-methoxyphenyl)methyl]carbamoyl]amino}-4-chlorobenzoate

IUPAC name

methyl 2-{[(1-acetylpiperidin-4-yl)[(4-methoxyphenyl)methyl]carbamoyl]amino}-4-chlorobenzoate

SMILES

CC(N(CC1)CCC1N(Cc(cc1)ccc1OC)C(Nc(cc(cc1)Cl)c1C(OC)=O)=O)=O

InChI

InChI=1S/C24H28ClN3O5/c1-16(29)27-12-10-19(11-13-27)28(15-17-4-7-20(32-2)8-5-17)24(31)26-22-14-18(25)6-9-21(22)23(30)33-3/h4-9,14,19H,10-13,15H2,1-3H3,(H,26,31)

InChI Key

XQCJHRMUBORPMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.96

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.923

Distribution Coefficient, logD

3.910

Water Solubility, LogSw

-4.37

Polar Surface Area

69.459

Acid Dissociation Constant (pKa)

8.93

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

E641-1109 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E641-1109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E641-1109?
Check Price and Availability of E641-1109, 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 E641-1109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E641-1109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E641-1109
  • 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 E641-1109 available by request