8002-9422 Screening compound: 4-bromo-2-[(E)-(2-{4-[(4-nitrophenyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]phenol

8002-9422 Screening compound: 4-bromo-2-[(E)-(2-{4-[(4-nitrophenyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]phenol
8002-9422 Screening compound: 4-bromo-2-[(E)-(2-{4-[(4-nitrophenyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-9422
4-bromo-2-[(E)-(2-{4-[(4-nitrophenyl)amino]-6-(phenylamino)-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

8002-9422

Molecular Formula

C22H17BrN8O3 (C22 H17 BrN8 O3)

Compound Name

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

IUPAC name

4-bromo-2-[(E)-(2-{4-[(4-nitrophenyl)amino]-6-(phenylamino)-135-triazin-2-yl}hydrazin-1-ylidene)methyl]phenol

SMILES

[O-][N+](c(cc1)ccc1Nc1nc(Nc2ccccc2)nc(N/N=C/c(cc(cc2)Br)c2O)n1)=O

InChI

InChI=1S/C22H17BrN8O3/c23-15-6-11-19(32)14(12-15)13-24-30-22-28-20(25-16-4-2-1-3-5-16)27-21(29-22)26-17-7-9-18(10-8-17)31(33)34/h1-13,32H,(H3,25,26,27,28,29,30)

InChI Key

QQVKKPOTYAITRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00322850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.33

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

6.978

Distribution Coefficient, logD

6.971

Water Solubility, LogSw

-5.96

Polar Surface Area

122.399

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8002-9422 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 8002-9422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-9422?
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What is the minimum amount of 8002-9422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-9422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-9422
  • 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 8002-9422 available by request