6136-0055 Screening compound: methyl 5-[(4-{[5-(methoxycarbonyl)furan-2-yl]methyl}piperazin-1-yl)methyl]furan-2-carboxylate

6136-0055 Screening compound: methyl 5-[(4-{[5-(methoxycarbonyl)furan-2-yl]methyl}piperazin-1-yl)methyl]furan-2-carboxylate
6136-0055 Screening compound: methyl 5-[(4-{[5-(methoxycarbonyl)furan-2-yl]methyl}piperazin-1-yl)methyl]furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6136-0055
methyl 5-[(4-{[5-(methoxycarbonyl)furan-2-yl]methyl}piperazin-1-yl)methyl]furan-2-carboxylate

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

6136-0055

Molecular Formula

C18H22N2O6 (C18 H22 N2 O6)

Compound Name

methyl 5-[(4-{[5-(methoxycarbonyl)furan-2-yl]methyl}piperazin-1-yl)methyl]furan-2-carboxylate

IUPAC name

methyl 5-[(4-{[5-(methoxycarbonyl)furan-2-yl]methyl}piperazin-1-yl)methyl]furan-2-carboxylate

SMILES

COC(c1ccc(CN2CCN(Cc3ccc(C(OC)=O)o3)CC2)o1)=O

InChI

InChI=1S/C18H22N2O6/c1-23-17(21)15-5-3-13(25-15)11-19-7-9-20(10-8-19)12-14-4-6-16(26-14)18(22)24-2/h3-6H,7-12H2,1-2H3

InChI Key

XLYLYBYBDCLOKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03069129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.699

Distribution Coefficient, logD

1.687

Water Solubility, LogSw

-1.98

Polar Surface Area

65.542

Acid Dissociation Constant (pKa)

28.88

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

6136-0055 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 6136-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6136-0055?
Check Price and Availability of 6136-0055, 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 6136-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6136-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6136-0055
  • 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 6136-0055 available by request