8004-8785 Screening compound: methyl 4-{3-[4-(2-{[4-(methoxycarbonyl)phenyl]carbamoyl}ethyl)piperazin-1-yl]propanamido}benzoate

8004-8785 Screening compound: methyl 4-{3-[4-(2-{[4-(methoxycarbonyl)phenyl]carbamoyl}ethyl)piperazin-1-yl]propanamido}benzoate
8004-8785 Screening compound: methyl 4-{3-[4-(2-{[4-(methoxycarbonyl)phenyl]carbamoyl}ethyl)piperazin-1-yl]propanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-8785
methyl 4-{3-[4-(2-{[4-(methoxycarbonyl)phenyl]carbamoyl}ethyl)piperazin-1-yl]propanamido}benzoate

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

8004-8785

Molecular Formula

C26H32N4O6 (C26 H32 N4 O6)

Compound Name

methyl 4-{3-[4-(2-{[4-(methoxycarbonyl)phenyl]carbamoyl}ethyl)piperazin-1-yl]propanamido}benzoate

IUPAC name

methyl 4-{3-[4-(2-{[4-(methoxycarbonyl)phenyl]carbamoyl}ethyl)piperazin-1-yl]propanamido}benzoate

SMILES

COC(c(cc1)ccc1NC(CCN1CCN(CCC(Nc(cc2)ccc2C(OC)=O)=O)CC1)=O)=O

InChI

InChI=1S/C26H32N4O6/c1-35-25(33)19-3-7-21(8-4-19)27-23(31)11-13-29-15-17-30(18-16-29)14-12-24(32)28-22-9-5-20(6-10-22)26(34)36-2/h3-10H,11-18H2,1-2H3,(H,27,31)(H,28,32)

InChI Key

KNUNNNZXHGDPCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00309884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.56

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.324

Distribution Coefficient, logD

2.264

Water Solubility, LogSw

-2.80

Polar Surface Area

96.115

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

8004-8785 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 8004-8785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-8785?
Check Price and Availability of 8004-8785, 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 8004-8785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-8785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-8785
  • 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 8004-8785 available by request