K659-0427 Screening compound: 2-{[(4-fluorophenyl)methyl]amino}-5-(pyrrolidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzene-1-sulfonamide

K659-0427 Screening compound: 2-{[(4-fluorophenyl)methyl]amino}-5-(pyrrolidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzene-1-sulfonamide
K659-0427 Screening compound: 2-{[(4-fluorophenyl)methyl]amino}-5-(pyrrolidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K659-0427
2-{[(4-fluorophenyl)methyl]amino}-5-(pyrrolidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzene-1-sulfonamide

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

K659-0427

Molecular Formula

C25H23F4N3O3S (C25 H23 F4 N3 O3 S)

Compound Name

2-{[(4-fluorophenyl)methyl]amino}-5-(pyrrolidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzene-1-sulfonamide

IUPAC name

2-{[(4-fluorophenyl)methyl]amino}-5-(pyrrolidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzene-1-sulfonamide

SMILES

O=C(c(cc1)cc(S(Nc2cc(C(F)(F)F)ccc2)(=O)=O)c1NCc(cc1)ccc1F)N1CCCC1

InChI

InChI=1S/C25H23F4N3O3S/c26-20-9-6-17(7-10-20)16-30-22-11-8-18(24(33)32-12-1-2-13-32)14-23(22)36(34,35)31-21-5-3-4-19(15-21)25(27,28)29/h3-11,14-15,30-31H,1-2,12-13,16H2

InChI Key

KSBKOPLIAFDGRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04421601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.636

Distribution Coefficient, logD

2.887

Water Solubility, LogSw

-4.68

Polar Surface Area

67.439

Acid Dissociation Constant (pKa)

5.66

Base Dissociation Constant (pKb)

-3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

K659-0427 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 K659-0427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K659-0427?
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What is the minimum amount of K659-0427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K659-0427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K659-0427
  • 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 K659-0427 available by request