K784-6248 Screening compound: 3-[(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-propylbenzamide

K784-6248 Screening compound: 3-[(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-propylbenzamide
K784-6248 Screening compound: 3-[(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-propylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-6248
3-[(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-propylbenzamide

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

K784-6248

Molecular Formula

C29H32N4O6S (C29 H32 N4 O6 S)

Compound Name

3-[(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-propylbenzamide

IUPAC name

3-(23-dihydro-14-benzodioxine-6-sulfonamido)-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}-N-propylbenzamide

SMILES

CCCNC(c(cc1)cc(NS(c(cc2)cc3c2OCCO3)(=O)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O

InChI

InChI=1S/C29H32N4O6S/c1-2-10-30-29(35)20-6-8-25(32-16-19-13-21(18-32)24-4-3-5-28(34)33(24)17-19)23(14-20)31-40(36,37)22-7-9-26-27(15-22)39-12-11-38-26/h3-9,14-15,19,21,31H,2,10-13,16-18H2,1H3,(H,30,35)

InChI Key

OGNGCKFPYKVBSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15098450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.818

Distribution Coefficient, logD

2.136

Water Solubility, LogSw

-3.61

Polar Surface Area

99.390

Acid Dissociation Constant (pKa)

6.82

Base Dissociation Constant (pKb)

6.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.90

K784-6248 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K784-6248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-6248?
Check Price and Availability of K784-6248, 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 K784-6248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-6248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-6248
  • 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 K784-6248 available by request