1994-0122 Screening compound: 6-[(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazin-1-yl]-N2-(4-nitrophenyl)-N4-phenyl-1,3,5-triazine-2,4-diamine

1994-0122 Screening compound: 6-[(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazin-1-yl]-N2-(4-nitrophenyl)-N4-phenyl-1,3,5-triazine-2,4-diamine
1994-0122 Screening compound: 6-[(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazin-1-yl]-N2-(4-nitrophenyl)-N4-phenyl-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1994-0122
6-[(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazin-1-yl]-N2-(4-nitrophenyl)-N4-phenyl-1,3,5-triazine-2,4-diamine

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

1994-0122

Molecular Formula

C25H21N9O2 (C25 H21 N9 O2)

Compound Name

6-[(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazin-1-yl]-N2-(4-nitrophenyl)-N4-phenyl-1,3,5-triazine-2,4-diamine

IUPAC name

6-[(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazin-1-yl]-N2-(4-nitrophenyl)-N4-phenyl-135-triazine-24-diamine

SMILES

Cc1c(/C=N/Nc2nc(Nc3ccccc3)nc(Nc(cc3)ccc3[N+]([O-])=O)n2)c(cccc2)c2[nH]1

InChI

InChI=1S/C25H21N9O2/c1-16-21(20-9-5-6-10-22(20)27-16)15-26-33-25-31-23(28-17-7-3-2-4-8-17)30-24(32-25)29-18-11-13-19(14-12-18)34(35)36/h2-15,27H,1H3,(H3,28,29,30,31,32,33)

InChI Key

BKUOGLLIOHWALK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00313262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

7.003

Distribution Coefficient, logD

7.003

Water Solubility, LogSw

-6.21

Polar Surface Area

115.777

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

1994-0122 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1994-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1994-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1994-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1994-0122
  • 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 1994-0122 available by request