K906-0049 Screening compound: 3-(4-bromobenzenesulfonyl)-N-[4-({1,3-dioxo-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindol-5-yl}oxy)phenyl]propanamide

K906-0049 Screening compound: 3-(4-bromobenzenesulfonyl)-N-[4-({1,3-dioxo-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindol-5-yl}oxy)phenyl]propanamide
K906-0049 Screening compound: 3-(4-bromobenzenesulfonyl)-N-[4-({1,3-dioxo-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindol-5-yl}oxy)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-0049
3-(4-bromobenzenesulfonyl)-N-[4-({1,3-dioxo-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindol-5-yl}oxy)phenyl]propanamide

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

K906-0049

Molecular Formula

C30H20BrF3N2O6S (C30 H20 BrF3 N2 O6 S)

Compound Name

3-(4-bromobenzenesulfonyl)-N-[4-({1,3-dioxo-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindol-5-yl}oxy)phenyl]propanamide

IUPAC name

3-(4-bromobenzenesulfonyl)-N-[4-({13-dioxo-2-[2-(trifluoromethyl)phenyl]-23-dihydro-1H-isoindol-5-yl}oxy)phenyl]propanamide

SMILES

O=C(CCS(c(cc1)ccc1Br)(=O)=O)Nc(cc1)ccc1Oc(cc1)cc(C(N2c3c(C(F)(F)F)cccc3)=O)c1C2=O

InChI

InChI=1S/C30H20BrF3N2O6S/c31-18-5-12-22(13-6-18)43(40,41)16-15-27(37)35-19-7-9-20(10-8-19)42-21-11-14-23-24(17-21)29(39)36(28(23)38)26-4-2-1-3-25(26)30(32,33)34/h1-14,17H,15-16H2,(H,35,37)

InChI Key

VVTKNHQRYZBRLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02939867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

673.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.340

Distribution Coefficient, logD

6.340

Water Solubility, LogSw

-6.00

Polar Surface Area

87.241

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with K906-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-0049?
Check Price and Availability of K906-0049, 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 K906-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-0049
  • 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 K906-0049 available by request