C609-0285 Screening compound: N-{1-[4-(2-fluorophenyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-2-yl}-N'-[2-(4-methoxyphenyl)ethyl]ethanediamide

C609-0285 Screening compound: N-{1-[4-(2-fluorophenyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-2-yl}-N'-[2-(4-methoxyphenyl)ethyl]ethanediamide
C609-0285 Screening compound: N-{1-[4-(2-fluorophenyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-2-yl}-N'-[2-(4-methoxyphenyl)ethyl]ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C609-0285
N-{1-[4-(2-fluorophenyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-2-yl}-N'-[2-(4-methoxyphenyl)ethyl]ethanediamide

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

C609-0285

Molecular Formula

C28H33FN4O3S (C28 H33 FN4 O3 S)

Compound Name

N-{1-[4-(2-fluorophenyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-2-yl}-N'-[2-(4-methoxyphenyl)ethyl]ethanediamide

IUPAC name

N-{1-[4-(2-fluorophenyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-2-yl}-N'-[2-(4-methoxyphenyl)ethyl]ethanediamide

SMILES

CC(C(c1cccs1)N(CC1)CCN1c(cccc1)c1F)NC(C(NCCc(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C28H33FN4O3S/c1-20(31-28(35)27(34)30-14-13-21-9-11-22(36-2)12-10-21)26(25-8-5-19-37-25)33-17-15-32(16-18-33)24-7-4-3-6-23(24)29/h3-12,19-20,26H,13-18H2,1-2H3,(H,30,34)(H,31,35)

InChI Key

UXXQXMJMIMUWCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05712946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.639

Distribution Coefficient, logD

3.625

Water Solubility, LogSw

-4.02

Polar Surface Area

62.888

Acid Dissociation Constant (pKa)

8.93

Base Dissociation Constant (pKb)

4.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.70

C609-0285 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C609-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C609-0285?
Check Price and Availability of C609-0285, 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 C609-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C609-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C609-0285
  • 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 C609-0285 available by request