1109-0048 Screening compound: 2-[(Z)-(2-{5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]-6-nitrophenol

1109-0048 Screening compound: 2-[(Z)-(2-{5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]-6-nitrophenol
1109-0048 Screening compound: 2-[(Z)-(2-{5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]-6-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1109-0048
2-[(Z)-(2-{5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]-6-nitrophenol

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

1109-0048

Molecular Formula

C23H17N7O3 (C23 H17 N7 O3)

Compound Name

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

IUPAC name

2-[(Z)-(2-{5-benzyl-5H-[124]triazino[56-b]indol-3-yl}hydrazin-1-ylidene)methyl]-6-nitrophenol

SMILES

[O-][N+](c(cccc1/C=N\Nc2nnc(c(cccc3)c3n3Cc4ccccc4)c3n2)c1O)=O

InChI

InChI=1S/C23H17N7O3/c31-21-16(9-6-12-19(21)30(32)33)13-24-27-23-25-22-20(26-28-23)17-10-4-5-11-18(17)29(22)14-15-7-2-1-3-8-15/h1-13,31H,14H2,(H,25,27,28)

InChI Key

HKCVXAMTWVZBNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.078

Distribution Coefficient, logD

4.143

Water Solubility, LogSw

-4.99

Polar Surface Area

105.087

Acid Dissociation Constant (pKa)

6.52

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

1109-0048 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1109-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1109-0048?
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What is the minimum amount of 1109-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1109-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1109-0048
  • 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 1109-0048 available by request