8002-9162 Screening compound: 2-[(E)-(2-{4-[(4-methoxyphenyl)amino]-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]phenol

8002-9162 Screening compound: 2-[(E)-(2-{4-[(4-methoxyphenyl)amino]-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]phenol
8002-9162 Screening compound: 2-[(E)-(2-{4-[(4-methoxyphenyl)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 8002-9162
2-[(E)-(2-{4-[(4-methoxyphenyl)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

8002-9162

Molecular Formula

C23H20N8O4 (C23 H20 N8 O4)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1Nc1nc(Nc(cc2)ccc2[N+]([O-])=O)nc(N/N=C/c(cccc2)c2O)n1

InChI

InChI=1S/C23H20N8O4/c1-35-19-12-8-17(9-13-19)26-22-27-21(25-16-6-10-18(11-7-16)31(33)34)28-23(29-22)30-24-14-15-4-2-3-5-20(15)32/h2-14,32H,1H3,(H3,25,26,27,28,29,30)

InChI Key

WHOYGWFVSNRUSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00322782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

6.451

Distribution Coefficient, logD

6.447

Water Solubility, LogSw

-5.74

Polar Surface Area

129.943

Acid Dissociation Constant (pKa)

9.50

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

References: we are preparing a list of scientific research reports with 8002-9162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-9162?
Check Price and Availability of 8002-9162, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8002-9162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-9162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-9162
  • 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 8002-9162 available by request