K659-0416 Screening compound: 2-{[(2-methoxyphenyl)methyl]amino}-5-(pyrrolidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzene-1-sulfonamide

K659-0416 Screening compound: 2-{[(2-methoxyphenyl)methyl]amino}-5-(pyrrolidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzene-1-sulfonamide
K659-0416 Screening compound: 2-{[(2-methoxyphenyl)methyl]amino}-5-(pyrrolidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K659-0416
2-{[(2-methoxyphenyl)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

K659-0416

Molecular Formula

C26H26F3N3O4S (C26 H26 F3 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc1c(CNc(ccc(C(N2CCCC2)=O)c2)c2S(Nc2cc(C(F)(F)F)ccc2)(=O)=O)cccc1

InChI

InChI=1S/C26H26F3N3O4S/c1-36-23-10-3-2-7-19(23)17-30-22-12-11-18(25(33)32-13-4-5-14-32)15-24(22)37(34,35)31-21-9-6-8-20(16-21)26(27,28)29/h2-3,6-12,15-16,30-31H,4-5,13-14,17H2,1H3

InChI Key

VVJXLMKIJQSLRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.828

Distribution Coefficient, logD

3.079

Water Solubility, LogSw

-4.67

Polar Surface Area

75.069

Acid Dissociation Constant (pKa)

5.66

Base Dissociation Constant (pKb)

-3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with K659-0416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K659-0416?
Check Price and Availability of K659-0416, 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 K659-0416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K659-0416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K659-0416
  • 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 K659-0416 available by request