K659-0754 Screening compound: 2-{[(4-fluorophenyl)methyl]amino}-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(3-methoxyphenyl)benzene-1-sulfonamide

K659-0754 Screening compound: 2-{[(4-fluorophenyl)methyl]amino}-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(3-methoxyphenyl)benzene-1-sulfonamide
K659-0754 Screening compound: 2-{[(4-fluorophenyl)methyl]amino}-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(3-methoxyphenyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K659-0754
2-{[(4-fluorophenyl)methyl]amino}-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(3-methoxyphenyl)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

K659-0754

Molecular Formula

C31H30F2N4O4S (C31 H30 F2 N4 O4 S)

Compound Name

2-{[(4-fluorophenyl)methyl]amino}-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(3-methoxyphenyl)benzene-1-sulfonamide

IUPAC name

2-{[(4-fluorophenyl)methyl]amino}-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(3-methoxyphenyl)benzene-1-sulfonamide

SMILES

COc1cccc(NS(c(cc(cc2)C(N(CC3)CCN3c(cc3)ccc3F)=O)c2NCc(cc2)ccc2F)(=O)=O)c1

InChI

InChI=1S/C31H30F2N4O4S/c1-41-28-4-2-3-26(20-28)35-42(39,40)30-19-23(7-14-29(30)34-21-22-5-8-24(32)9-6-22)31(38)37-17-15-36(16-18-37)27-12-10-25(33)11-13-27/h2-14,19-20,34-35H,15-18,21H2,1H3

InChI Key

YURSZSXWMAPZSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

592.67

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

4.732

Distribution Coefficient, logD

4.246

Water Solubility, LogSw

-4.52

Polar Surface Area

77.877

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.40

K659-0754 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K659-0754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K659-0754?
Check Price and Availability of K659-0754, 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 K659-0754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K659-0754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K659-0754
  • 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 K659-0754 available by request