K906-0175 Screening compound: 2-[(4-bromophenyl)sulfanyl]-N-[4-({2-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl}oxy)phenyl]acetamide

K906-0175 Screening compound: 2-[(4-bromophenyl)sulfanyl]-N-[4-({2-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl}oxy)phenyl]acetamide
K906-0175 Screening compound: 2-[(4-bromophenyl)sulfanyl]-N-[4-({2-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl}oxy)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-0175
2-[(4-bromophenyl)sulfanyl]-N-[4-({2-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl}oxy)phenyl]acetamide

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

K906-0175

Molecular Formula

C32H27BrN2O6S (C32 H27 BrN2 O6 S)

Compound Name

2-[(4-bromophenyl)sulfanyl]-N-[4-({2-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl}oxy)phenyl]acetamide

IUPAC name

2-[(4-bromophenyl)sulfanyl]-N-[4-({2-[2-(34-dimethoxyphenyl)ethyl]-13-dioxo-23-dihydro-1H-isoindol-5-yl}oxy)phenyl]acetamide

SMILES

COc(ccc(CCN(C(c(cc1)c2cc1Oc(cc1)ccc1NC(CSc(cc1)ccc1Br)=O)=O)C2=O)c1)c1OC

InChI

InChI=1S/C32H27BrN2O6S/c1-39-28-14-3-20(17-29(28)40-2)15-16-35-31(37)26-13-10-24(18-27(26)32(35)38)41-23-8-6-22(7-9-23)34-30(36)19-42-25-11-4-21(33)5-12-25/h3-14,17-18H,15-16,19H2,1-2H3,(H,34,36)

InChI Key

RIYNMERFORKXTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03020300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

647.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.453

Distribution Coefficient, logD

6.453

Water Solubility, LogSw

-5.64

Polar Surface Area

74.356

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.60

K906-0175 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K906-0175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-0175?
Check Price and Availability of K906-0175, 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 K906-0175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-0175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-0175
  • 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 K906-0175 available by request