1994-0251 Screening compound: 2,4-dichloro-6-[(E)-(2-{4-[(3,4-dimethylphenyl)amino]-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]phenol

1994-0251 Screening compound: 2,4-dichloro-6-[(E)-(2-{4-[(3,4-dimethylphenyl)amino]-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]phenol
1994-0251 Screening compound: 2,4-dichloro-6-[(E)-(2-{4-[(3,4-dimethylphenyl)amino]-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1994-0251
2,4-dichloro-6-[(E)-(2-{4-[(3,4-dimethylphenyl)amino]-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-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

1994-0251

Molecular Formula

C24H20Cl2N8O3 (C24 H20 Cl2 N8 O3)

Compound Name

2,4-dichloro-6-[(E)-(2-{4-[(3,4-dimethylphenyl)amino]-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]phenol

IUPAC name

24-dichloro-6-[(E)-(2-{4-[(34-dimethylphenyl)amino]-6-[(4-nitrophenyl)amino]-135-triazin-2-yl}hydrazin-1-ylidene)methyl]phenol

SMILES

Cc(cc1)c(C)cc1Nc1nc(Nc(cc2)ccc2[N+]([O-])=O)nc(N/N=C/c2cc(Cl)cc(Cl)c2O)n1

InChI

InChI=1S/C24H20Cl2N8O3/c1-13-3-4-18(9-14(13)2)29-23-30-22(28-17-5-7-19(8-6-17)34(36)37)31-24(32-23)33-27-12-15-10-16(25)11-20(26)21(15)35/h3-12,35H,1-2H3,(H3,28,29,30,31,32,33)

InChI Key

POXXYQRBGFYSLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00741794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

8.744

Distribution Coefficient, logD

8.634

Water Solubility, LogSw

-6.25

Polar Surface Area

121.330

Acid Dissociation Constant (pKa)

7.95

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

1994-0251 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 1994-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1994-0251?
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What is the minimum amount of 1994-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1994-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1994-0251
  • 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 1994-0251 available by request