K784-8029 Screening compound: 3-{[(2,5-dimethoxyphenyl)sulfonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoic acid

K784-8029 Screening compound: 3-{[(2,5-dimethoxyphenyl)sulfonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoic acid
K784-8029 Screening compound: 3-{[(2,5-dimethoxyphenyl)sulfonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-8029
3-{[(2,5-dimethoxyphenyl)sulfonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoic acid

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

K784-8029

Molecular Formula

C26H27N3O7S (C26 H27 N3 O7 S)

Compound Name

3-{[(2,5-dimethoxyphenyl)sulfonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoic acid

IUPAC name

3-(25-dimethoxybenzenesulfonamido)-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzoic acid

SMILES

COc(cc1)cc(S(Nc(cc(cc2)C(O)=O)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)(=O)=O)c1OC

InChI

InChI=1S/C26H27N3O7S/c1-35-19-7-9-23(36-2)24(12-19)37(33,34)27-20-11-17(26(31)32)6-8-22(20)28-13-16-10-18(15-28)21-4-3-5-25(30)29(21)14-16/h3-9,11-12,16,18,27H,10,13-15H2,1-2H3,(H,31,32)

InChI Key

AEWMGJJHGVSMBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03451890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.797

Distribution Coefficient, logD

1.292

Water Solubility, LogSw

-4.13

Polar Surface Area

102.623

Acid Dissociation Constant (pKa)

4.90

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.80

K784-8029 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with K784-8029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-8029?
Check Price and Availability of K784-8029, 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 K784-8029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-8029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-8029
  • 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 K784-8029 available by request