K405-0539 Screening compound: 4-[2-({5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)ethyl]benzene-1-sulfonamide

K405-0539 Screening compound: 4-[2-({5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)ethyl]benzene-1-sulfonamide
K405-0539 Screening compound: 4-[2-({5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)ethyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K405-0539
4-[2-({5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)ethyl]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

K405-0539

Molecular Formula

C27H22F3N5O2S (C27 H22 F3 N5 O2 S)

Compound Name

4-[2-({5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)ethyl]benzene-1-sulfonamide

IUPAC name

4-[2-({5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[23-d]pyrimidin-4-yl}amino)ethyl]benzene-1-sulfonamide

SMILES

NS(c1ccc(CCNc2ncnc3c2c(-c2ccccc2)cn3-c2cc(C(F)(F)F)ccc2)cc1)(=O)=O

InChI

InChI=1S/C27H22F3N5O2S/c28-27(29,30)20-7-4-8-21(15-20)35-16-23(19-5-2-1-3-6-19)24-25(33-17-34-26(24)35)32-14-13-18-9-11-22(12-10-18)38(31,36)37/h1-12,15-17H,13-14H2,(H2,31,36,37)(H,32,33,34)

InChI Key

LKIRSDCVZHHPBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04450783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.067

Distribution Coefficient, logD

4.898

Water Solubility, LogSw

-5.11

Polar Surface Area

84.146

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

7.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

K405-0539 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Akt-Targeted Library (14764 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K405-0539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K405-0539?
Check Price and Availability of K405-0539, 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 K405-0539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K405-0539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K405-0539
  • 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 K405-0539 available by request