0712-0072 Screening compound: 2-chloro-6-[(E)-(2-{5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]phenol

0712-0072 Screening compound: 2-chloro-6-[(E)-(2-{5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]phenol
0712-0072 Screening compound: 2-chloro-6-[(E)-(2-{5-ethyl-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 0712-0072
2-chloro-6-[(E)-(2-{5-ethyl-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

0712-0072

Molecular Formula

C18H15ClN6O (C18 H15 ClN6 O)

Compound Name

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

IUPAC name

2-chloro-6-[(E)-(2-{5-ethyl-5H-[124]triazino[56-b]indol-3-yl}hydrazin-1-ylidene)methyl]phenol

SMILES

CCn1c2nc(N/N=C/c3cccc(Cl)c3O)nnc2c2c1cccc2

InChI

InChI=1S/C18H15ClN6O/c1-2-25-14-9-4-3-7-12(14)15-17(25)21-18(24-22-15)23-20-10-11-6-5-8-13(19)16(11)26/h3-10,26H,2H2,1H3,(H,21,23,24)

InChI Key

ZSCXWGYMDPISQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00636562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.471

Distribution Coefficient, logD

4.418

Water Solubility, LogSw

-4.18

Polar Surface Area

72.003

Acid Dissociation Constant (pKa)

8.29

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

0712-0072 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 0712-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0712-0072?
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What is the minimum amount of 0712-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0712-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0712-0072
  • 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 0712-0072 available by request