C609-0277 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-{1-[4-(2-fluorophenyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-2-yl}ethanediamide

C609-0277 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-{1-[4-(2-fluorophenyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-2-yl}ethanediamide
C609-0277 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-{1-[4-(2-fluorophenyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-2-yl}ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C609-0277
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-{1-[4-(2-fluorophenyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-2-yl}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

C609-0277

Molecular Formula

C27H29FN4O4S (C27 H29 FN4 O4 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-{1-[4-(2-fluorophenyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-2-yl}ethanediamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-N'-{1-[4-(2-fluorophenyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-2-yl}ethanediamide

SMILES

CC(C(c1cccs1)N(CC1)CCN1c(cccc1)c1F)NC(C(NCc(cc1)cc2c1OCO2)=O)=O

InChI

InChI=1S/C27H29FN4O4S/c1-18(30-27(34)26(33)29-16-19-8-9-22-23(15-19)36-17-35-22)25(24-7-4-14-37-24)32-12-10-31(11-13-32)21-6-3-2-5-20(21)28/h2-9,14-15,18,25H,10-13,16-17H2,1H3,(H,29,33)(H,30,34)

InChI Key

DTGFZAKJUIBVNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05712943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.636

Distribution Coefficient, logD

3.629

Water Solubility, LogSw

-3.96

Polar Surface Area

72.618

Acid Dissociation Constant (pKa)

9.30

Base Dissociation Constant (pKb)

4.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

C609-0277 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C609-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C609-0277?
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What is the minimum amount of C609-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C609-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C609-0277
  • 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 C609-0277 available by request