K786-4252 Screening compound: 6-(azepane-1-sulfonyl)-2-oxo-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-1,2-dihydroquinoline-4-carboxamide

K786-4252 Screening compound: 6-(azepane-1-sulfonyl)-2-oxo-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-1,2-dihydroquinoline-4-carboxamide
K786-4252 Screening compound: 6-(azepane-1-sulfonyl)-2-oxo-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-1,2-dihydroquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-4252
6-(azepane-1-sulfonyl)-2-oxo-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-1,2-dihydroquinoline-4-carboxamide

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

K786-4252

Molecular Formula

C27H32N4O4S (C27 H32 N4 O4 S)

Compound Name

6-(azepane-1-sulfonyl)-2-oxo-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-1,2-dihydroquinoline-4-carboxamide

IUPAC name

6-(azepane-1-sulfonyl)-2-oxo-N-[2-(1234-tetrahydroisoquinolin-2-yl)ethyl]-12-dihydroquinoline-4-carboxamide

SMILES

O=C(C(c(cc(cc1)S(N2CCCCCC2)(=O)=O)c1N1)=CC1=O)NCCN(CC1)Cc2c1cccc2

InChI

InChI=1S/C27H32N4O4S/c32-26-18-24(27(33)28-12-16-30-15-11-20-7-3-4-8-21(20)19-30)23-17-22(9-10-25(23)29-26)36(34,35)31-13-5-1-2-6-14-31/h3-4,7-10,17-18H,1-2,5-6,11-16,19H2,(H,28,33)(H,29,32)

InChI Key

YYXGMRLXVDXNGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15101047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.133

Distribution Coefficient, logD

2.566

Water Solubility, LogSw

-3.61

Polar Surface Area

85.000

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

K786-4252 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K786-4252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-4252?
Check Price and Availability of K786-4252, 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 K786-4252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-4252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-4252
  • 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 K786-4252 available by request