4093-0005 Screening compound: 4-[(E)-(2-{5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]phenol

4093-0005 Screening compound: 4-[(E)-(2-{5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]phenol
4093-0005 Screening compound: 4-[(E)-(2-{5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4093-0005
4-[(E)-(2-{5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]phenol

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

4093-0005

Molecular Formula

C17H14N6O (C17 H14 N6 O)

Compound Name

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

IUPAC name

4-[(E)-(2-{5-methyl-5H-[124]triazino[56-b]indol-3-yl}hydrazin-1-ylidene)methyl]phenol

SMILES

Cn1c2nc(N/N=C/c(cc3)ccc3O)nnc2c2c1cccc2

InChI

InChI=1S/C17H14N6O/c1-23-14-5-3-2-4-13(14)15-16(23)19-17(22-20-15)21-18-10-11-6-8-12(24)9-7-11/h2-10,24H,1H3,(H,19,21,22)

InChI Key

JTFLEMXVNYBZEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01019275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.483

Distribution Coefficient, logD

2.481

Water Solubility, LogSw

-2.32

Polar Surface Area

75.226

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

4.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

4093-0005 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4093-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4093-0005?
Check Price and Availability of 4093-0005, 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 4093-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4093-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4093-0005
  • 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 4093-0005 available by request