C609-0397 Screening compound: 2-fluoro-N-{1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-2-yl}benzamide

C609-0397 Screening compound: 2-fluoro-N-{1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-2-yl}benzamide
C609-0397 Screening compound: 2-fluoro-N-{1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C609-0397
2-fluoro-N-{1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-2-yl}benzamide

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

C609-0397

Molecular Formula

C25H28FN3O2S (C25 H28 FN3 O2 S)

Compound Name

2-fluoro-N-{1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-2-yl}benzamide

IUPAC name

2-fluoro-N-{1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-2-yl}benzamide

SMILES

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

InChI

InChI=1S/C25H28FN3O2S/c1-18(27-25(30)21-6-3-4-7-22(21)26)24(23-8-5-17-32-23)29-15-13-28(14-16-29)19-9-11-20(31-2)12-10-19/h3-12,17-18,24H,13-16H2,1-2H3,(H,27,30)

InChI Key

YTKBPGLHBHYEMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04470874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.664

Distribution Coefficient, logD

4.663

Water Solubility, LogSw

-4.37

Polar Surface Area

38.662

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.00

C609-0397 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C609-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C609-0397?
Check Price and Availability of C609-0397, 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 C609-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C609-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C609-0397
  • 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 C609-0397 available by request