K786-4607 Screening compound: 5-(azepane-1-sulfonyl)-1-{[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]methyl}-2,3-dihydro-1H-indole-2,3-dione

K786-4607 Screening compound: 5-(azepane-1-sulfonyl)-1-{[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]methyl}-2,3-dihydro-1H-indole-2,3-dione
K786-4607 Screening compound: 5-(azepane-1-sulfonyl)-1-{[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]methyl}-2,3-dihydro-1H-indole-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-4607
5-(azepane-1-sulfonyl)-1-{[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]methyl}-2,3-dihydro-1H-indole-2,3-dione

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

K786-4607

Molecular Formula

C27H30N4O6S (C27 H30 N4 O6 S)

Compound Name

5-(azepane-1-sulfonyl)-1-{[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]methyl}-2,3-dihydro-1H-indole-2,3-dione

IUPAC name

5-(azepane-1-sulfonyl)-1-{[35-dioxo-4-(2-phenylethyl)piperazin-1-yl]methyl}-23-dihydro-1H-indole-23-dione

SMILES

O=C(c(cc(cc1)S(N2CCCCCC2)(=O)=O)c1N1CN(CC(N2CCc3ccccc3)=O)CC2=O)C1=O

InChI

InChI=1S/C27H30N4O6S/c32-24-17-28(18-25(33)30(24)15-12-20-8-4-3-5-9-20)19-31-23-11-10-21(16-22(23)26(34)27(31)35)38(36,37)29-13-6-1-2-7-14-29/h3-5,8-11,16H,1-2,6-7,12-15,17-19H2

InChI Key

CPUSWXXBTXBBSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15101103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.62

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.061

Distribution Coefficient, logD

2.061

Water Solubility, LogSw

-3.19

Polar Surface Area

95.689

Acid Dissociation Constant (pKa)

20.15

Base Dissociation Constant (pKb)

2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

K786-4607 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K786-4607 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-4607?
Check Price and Availability of K786-4607, 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 K786-4607 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-4607
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-4607
  • 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 K786-4607 available by request