K622-0459 Screening compound: 4-bromo-N~1~-[5-{[4-(2-methoxyphenyl)piperazino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-1-benzenesulfonamide

K622-0459 Screening compound: 4-bromo-N~1~-[5-{[4-(2-methoxyphenyl)piperazino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-1-benzenesulfonamide
K622-0459 Screening compound: 4-bromo-N~1~-[5-{[4-(2-methoxyphenyl)piperazino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K622-0459
4-bromo-N~1~-[5-{[4-(2-methoxyphenyl)piperazino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-1-benzenesulfonamide

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

K622-0459

Molecular Formula

C35H36BrN5O5S (C35 H36 BrN5 O5 S)

Compound Name

4-bromo-N~1~-[5-{[4-(2-methoxyphenyl)piperazino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-1-benzenesulfonamide

IUPAC name

4-bromo-N-{5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}phenyl}benzene-1-sulfonamide

SMILES

COc(cccc1)c1N(CC1)CCN1C(c(cc1)cc(NS(c(cc2)ccc2Br)(=O)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O

InChI

InChI=1S/C35H36BrN5O5S/c1-46-33-7-3-2-5-32(33)38-15-17-39(18-16-38)35(43)25-9-14-31(29(20-25)37-47(44,45)28-12-10-27(36)11-13-28)40-21-24-19-26(23-40)30-6-4-8-34(42)41(30)22-24/h2-14,20,24,26,37H,15-19,21-23H2,1H3

InChI Key

ZVHPMOMYNVBTTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

718.67

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.445

Distribution Coefficient, logD

3.649

Water Solubility, LogSw

-5.36

Polar Surface Area

86.279

Acid Dissociation Constant (pKa)

5.61

Base Dissociation Constant (pKb)

5.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.40

K622-0459 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K622-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K622-0459?
Check Price and Availability of K622-0459, 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 K622-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K622-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K622-0459
  • 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 K622-0459 available by request