1348-1093 Screening compound: 1-(4-nitrophenyl)-2-[(E)-(2-{5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]-1H-pyrrole

1348-1093 Screening compound: 1-(4-nitrophenyl)-2-[(E)-(2-{5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]-1H-pyrrole
1348-1093 Screening compound: 1-(4-nitrophenyl)-2-[(E)-(2-{5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]-1H-pyrrole alternative view

Chemical Structure Depiction of ChemDiv screening compound 1348-1093
1-(4-nitrophenyl)-2-[(E)-(2-{5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]-1H-pyrrole

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

1348-1093

Molecular Formula

C20H14N8O2 (C20 H14 N8 O2)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)ccc1-n1c(/C=N/Nc2nnc(c(cccc3)c3[nH]3)c3n2)ccc1)=O

InChI

InChI=1S/C20H14N8O2/c29-28(30)14-9-7-13(8-10-14)27-11-3-4-15(27)12-21-25-20-23-19-18(24-26-20)16-5-1-2-6-17(16)22-19/h1-12H,(H2,22,23,25,26)

InChI Key

SGPMEJHHBSQUSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00653295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.981

Distribution Coefficient, logD

3.981

Water Solubility, LogSw

-4.53

Polar Surface Area

101.266

Acid Dissociation Constant (pKa)

15.42

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1348-1093 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 1348-1093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1348-1093?
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What is the minimum amount of 1348-1093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1348-1093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1348-1093
  • 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 1348-1093 available by request