8002-4812 Screening compound: 4-bromo-2-[(E)-{2-[4-(morpholin-4-yl)-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenol

8002-4812 Screening compound: 4-bromo-2-[(E)-{2-[4-(morpholin-4-yl)-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenol
8002-4812 Screening compound: 4-bromo-2-[(E)-{2-[4-(morpholin-4-yl)-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-4812
4-bromo-2-[(E)-{2-[4-(morpholin-4-yl)-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

8002-4812

Molecular Formula

C20H19BrN8O4 (C20 H19 BrN8 O4)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)ccc1Nc1nc(N/N=C/c(cc(cc2)Br)c2O)nc(N2CCOCC2)n1)=O

InChI

InChI=1S/C20H19BrN8O4/c21-14-1-6-17(30)13(11-14)12-22-27-19-24-18(23-15-2-4-16(5-3-15)29(31)32)25-20(26-19)28-7-9-33-10-8-28/h1-6,11-12,30H,7-10H2,(H2,23,24,25,26,27)

InChI Key

JEENJSJEJDTPCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00732674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.33

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

5.616

Distribution Coefficient, logD

5.609

Water Solubility, LogSw

-5.61

Polar Surface Area

122.640

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8002-4812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-4812?
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What is the minimum amount of 8002-4812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-4812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-4812
  • 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 8002-4812 available by request