8002-9426 Screening compound: (3E)-3-(2-{4-[(4-nitrophenyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)-2,3-dihydro-1H-indol-2-one

8002-9426 Screening compound: (3E)-3-(2-{4-[(4-nitrophenyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)-2,3-dihydro-1H-indol-2-one
8002-9426 Screening compound: (3E)-3-(2-{4-[(4-nitrophenyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-9426
(3E)-3-(2-{4-[(4-nitrophenyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)-2,3-dihydro-1H-indol-2-one

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

8002-9426

Molecular Formula

C23H17N9O3 (C23 H17 N9 O3)

Compound Name

(3E)-3-(2-{4-[(4-nitrophenyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)-2,3-dihydro-1H-indol-2-one

IUPAC name

(3E)-3-(2-{4-[(4-nitrophenyl)amino]-6-(phenylamino)-135-triazin-2-yl}hydrazin-1-ylidene)-23-dihydro-1H-indol-2-one

SMILES

[O-][N+](c(cc1)ccc1Nc1nc(N/N=C(\c(cccc2)c2N2)/C2=O)nc(Nc2ccccc2)n1)=O

InChI

InChI=1S/C23H17N9O3/c33-20-19(17-8-4-5-9-18(17)26-20)30-31-23-28-21(24-14-6-2-1-3-7-14)27-22(29-23)25-15-10-12-16(13-11-15)32(34)35/h1-13H,(H,26,30,33)(H3,24,25,27,28,29,31)

InChI Key

DYSBBNDIZQNCAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00322854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

5.600

Distribution Coefficient, logD

5.600

Water Solubility, LogSw

-5.77

Polar Surface Area

129.661

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8002-9426 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8002-9426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-9426?
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What is the minimum amount of 8002-9426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-9426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-9426
  • 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 8002-9426 available by request