8008-9065 Screening compound: methyl 4-[((E)-2-{4-(methylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl}hydrazono)methyl]benzoate

8008-9065 Screening compound: methyl 4-[((E)-2-{4-(methylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl}hydrazono)methyl]benzoate
8008-9065 Screening compound: methyl 4-[((E)-2-{4-(methylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl}hydrazono)methyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-9065
methyl 4-[((E)-2-{4-(methylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl}hydrazono)methyl]benzoate

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

8008-9065

Molecular Formula

C20H18F3N7O2 (C20 H18 F3 N7 O2)

Compound Name

methyl 4-[((E)-2-{4-(methylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl}hydrazono)methyl]benzoate

IUPAC name

methyl 4-[(E)-{2-[4-(methylamino)-6-{[3-(trifluoromethyl)phenyl]amino}-135-triazin-2-yl]hydrazin-1-ylidene}methyl]benzoate

SMILES

CNc1nc(Nc2cccc(C(F)(F)F)c2)nc(N/N=C/c(cc2)ccc2C(OC)=O)n1

InChI

InChI=1S/C20H18F3N7O2/c1-24-17-27-18(26-15-5-3-4-14(10-15)20(21,22)23)29-19(28-17)30-25-11-12-6-8-13(9-7-12)16(31)32-2/h3-11H,1-2H3,(H3,24,26,27,28,29,30)

InChI Key

WVUUVGZUSSRNAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00606584

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

445.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.663

Distribution Coefficient, logD

5.661

Water Solubility, LogSw

-5.75

Polar Surface Area

95.387

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 8008-9065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-9065?
Check Price and Availability of 8008-9065, 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 8008-9065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-9065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-9065
  • 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 8008-9065 available by request