8009-9146 Screening compound: (E)-N-[(E)-({3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)amino]-N''-nitroguanidine

8009-9146 Screening compound: (E)-N-[(E)-({3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)amino]-N''-nitroguanidine
8009-9146 Screening compound: (E)-N-[(E)-({3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)amino]-N''-nitroguanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-9146
(E)-N-[(E)-({3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)amino]-N''-nitroguanidine

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

8009-9146

Molecular Formula

C16H13F3N6O6 (C16 H13 F3 N6 O6)

Compound Name

(E)-N-[(E)-({3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)amino]-N''-nitroguanidine

IUPAC name

(E)-N-[(E)-({3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)amino]-N''-nitroguanidine

SMILES

COc(cc(/C=N/N/C(/N)=N/[N+]([O-])=O)cc1)c1Oc(ccc(C(F)(F)F)c1)c1[N+]([O-])=O

InChI

InChI=1S/C16H13F3N6O6/c1-30-14-6-9(8-21-22-15(20)23-25(28)29)2-4-13(14)31-12-5-3-10(16(17,18)19)7-11(12)24(26)27/h2-8H,1H3,(H3,20,22,23)

InChI Key

NLERIWQKCJAJKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01066143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.31

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.604

Distribution Coefficient, logD

0.470

Water Solubility, LogSw

-3.14

Polar Surface Area

136.231

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

6.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 8009-9146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-9146?
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What is the minimum amount of 8009-9146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9146
  • 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 8009-9146 available by request