K906-0047 Screening compound: 3-(4-bromobenzenesulfonyl)-N-(4-{[2-(4-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)propanamide

K906-0047 Screening compound: 3-(4-bromobenzenesulfonyl)-N-(4-{[2-(4-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)propanamide
K906-0047 Screening compound: 3-(4-bromobenzenesulfonyl)-N-(4-{[2-(4-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-0047
3-(4-bromobenzenesulfonyl)-N-(4-{[2-(4-methylphenyl)-1,3-dioxo-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

K906-0047

Molecular Formula

C30H23BrN2O6S (C30 H23 BrN2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1N(C(c(cc1)c2cc1Oc(cc1)ccc1NC(CCS(c(cc1)ccc1Br)(=O)=O)=O)=O)C2=O

InChI

InChI=1S/C30H23BrN2O6S/c1-19-2-8-22(9-3-19)33-29(35)26-15-12-24(18-27(26)30(33)36)39-23-10-6-21(7-11-23)32-28(34)16-17-40(37,38)25-13-4-20(31)5-14-25/h2-15,18H,16-17H2,1H3,(H,32,34)

InChI Key

NKYBIDVIWVRIBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02939865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

619.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.862

Distribution Coefficient, logD

5.862

Water Solubility, LogSw

-5.47

Polar Surface Area

87.542

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 K906-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-0047?
Check Price and Availability of K906-0047, 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 K906-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-0047
  • 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 K906-0047 available by request