1927-8131 Screening compound: 4-chloro-2-[(Z)-(2-{6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]-6-nitrophenol

1927-8131 Screening compound: 4-chloro-2-[(Z)-(2-{6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]-6-nitrophenol
1927-8131 Screening compound: 4-chloro-2-[(Z)-(2-{6-methyl-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 1927-8131
4-chloro-2-[(Z)-(2-{6-methyl-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

1927-8131

Molecular Formula

C17H12ClN7O3 (C17 H12 ClN7 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc2c1[nH]c1nc(N/N=C\c3cc(Cl)cc([N+]([O-])=O)c3O)nnc12

InChI

InChI=1S/C17H12ClN7O3/c1-8-3-2-4-11-13(8)20-16-14(11)22-24-17(21-16)23-19-7-9-5-10(18)6-12(15(9)26)25(27)28/h2-7,26H,1H3,(H2,20,21,23,24)

InChI Key

FUVHLWFYTNIRPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01018624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.78

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.164

Distribution Coefficient, logD

2.912

Water Solubility, LogSw

-4.32

Polar Surface Area

114.685

Acid Dissociation Constant (pKa)

6.17

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 1927-8131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1927-8131?
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What is the minimum amount of 1927-8131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1927-8131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1927-8131
  • 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 1927-8131 available by request