K781-7781 Screening compound: 3-[(4-ethylpiperazin-1-yl)sulfonyl]-4-fluoro-N-(4-phenoxyphenyl)benzamide

K781-7781 Screening compound: 3-[(4-ethylpiperazin-1-yl)sulfonyl]-4-fluoro-N-(4-phenoxyphenyl)benzamide
K781-7781 Screening compound: 3-[(4-ethylpiperazin-1-yl)sulfonyl]-4-fluoro-N-(4-phenoxyphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-7781
3-[(4-ethylpiperazin-1-yl)sulfonyl]-4-fluoro-N-(4-phenoxyphenyl)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

K781-7781

Molecular Formula

C25H26FN3O4S (C25 H26 FN3 O4 S)

Compound Name

3-[(4-ethylpiperazin-1-yl)sulfonyl]-4-fluoro-N-(4-phenoxyphenyl)benzamide

IUPAC name

3-[(4-ethylpiperazin-1-yl)sulfonyl]-4-fluoro-N-(4-phenoxyphenyl)benzamide

SMILES

CCN(CC1)CCN1S(c(cc(cc1)C(Nc(cc2)ccc2Oc2ccccc2)=O)c1F)(=O)=O

InChI

InChI=1S/C25H26FN3O4S/c1-2-28-14-16-29(17-15-28)34(31,32)24-18-19(8-13-23(24)26)25(30)27-20-9-11-22(12-10-20)33-21-6-4-3-5-7-21/h3-13,18H,2,14-17H2,1H3,(H,27,30)

InChI Key

KACLTGLSVDTJSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15094838

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

483.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.263

Distribution Coefficient, logD

4.173

Water Solubility, LogSw

-4.09

Polar Surface Area

65.325

Acid Dissociation Constant (pKa)

9.47

Base Dissociation Constant (pKb)

6.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

K781-7781 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Lipid Metabolism Library (9174 compounds)

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with K781-7781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-7781?
Check Price and Availability of K781-7781, 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 K781-7781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-7781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-7781
  • 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 K781-7781 available by request