8002-9119 Screening compound: 6-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazin-1-yl]-N2-(4-methoxyphenyl)-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine

8002-9119 Screening compound: 6-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazin-1-yl]-N2-(4-methoxyphenyl)-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine
8002-9119 Screening compound: 6-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazin-1-yl]-N2-(4-methoxyphenyl)-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-9119
6-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazin-1-yl]-N2-(4-methoxyphenyl)-N4-(4-nitrophenyl)-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

8002-9119

Molecular Formula

C23H19FN8O3 (C23 H19 FN8 O3)

Compound Name

6-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazin-1-yl]-N2-(4-methoxyphenyl)-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine

IUPAC name

6-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazin-1-yl]-N2-(4-methoxyphenyl)-N4-(4-nitrophenyl)-135-triazine-24-diamine

SMILES

COc(cc1)ccc1Nc1nc(Nc(cc2)ccc2[N+]([O-])=O)nc(N/N=C/c(cccc2)c2F)n1

InChI

InChI=1S/C23H19FN8O3/c1-35-19-12-8-17(9-13-19)27-22-28-21(26-16-6-10-18(11-7-16)32(33)34)29-23(30-22)31-25-14-15-4-2-3-5-20(15)24/h2-14H,1H3,(H3,26,27,28,29,30,31)

InChI Key

RRMRPCOJTDBBNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00322767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

6.747

Distribution Coefficient, logD

6.746

Water Solubility, LogSw

-6.00

Polar Surface Area

113.395

Acid Dissociation Constant (pKa)

13.18

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

8002-9119 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 8002-9119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-9119?
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What is the minimum amount of 8002-9119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-9119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-9119
  • 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 8002-9119 available by request