4093-0011 Screening compound: 6-[(E)-(2-{5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]-2,3-dimethoxybenzoic acid

4093-0011 Screening compound: 6-[(E)-(2-{5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]-2,3-dimethoxybenzoic acid
4093-0011 Screening compound: 6-[(E)-(2-{5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]-2,3-dimethoxybenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4093-0011
6-[(E)-(2-{5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]-2,3-dimethoxybenzoic 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

4093-0011

Molecular Formula

C26H22N6O4 (C26 H22 N6 O4)

Compound Name

6-[(E)-(2-{5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]-2,3-dimethoxybenzoic acid

IUPAC name

6-[(E)-(2-{5-benzyl-5H-[124]triazino[56-b]indol-3-yl}hydrazin-1-ylidene)methyl]-23-dimethoxybenzoic acid

SMILES

COc1ccc(/C=N/Nc2nnc(c(cccc3)c3n3Cc4ccccc4)c3n2)c(C(O)=O)c1OC

InChI

InChI=1S/C26H22N6O4/c1-35-20-13-12-17(21(25(33)34)23(20)36-2)14-27-30-26-28-24-22(29-31-26)18-10-6-7-11-19(18)32(24)15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,33,34)(H,28,30,31)

InChI Key

QDIGNAWMDCLKEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01552582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.692

Distribution Coefficient, logD

1.603

Water Solubility, LogSw

-4.55

Polar Surface Area

100.283

Acid Dissociation Constant (pKa)

4.31

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

4093-0011 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4093-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4093-0011?
Check Price and Availability of 4093-0011, 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 4093-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4093-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4093-0011
  • 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 4093-0011 available by request