8009-4821 Screening compound: 3-[(Z)-({3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)amino]-1-phenylurea

8009-4821 Screening compound: 3-[(Z)-({3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)amino]-1-phenylurea
8009-4821 Screening compound: 3-[(Z)-({3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)amino]-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-4821
3-[(Z)-({3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)amino]-1-phenylurea

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

8009-4821

Molecular Formula

C22H17F3N4O5 (C22 H17 F3 N4 O5)

Compound Name

3-[(Z)-({3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)amino]-1-phenylurea

IUPAC name

3-[(Z)-({3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)amino]-1-phenylurea

SMILES

COc(cc(/C=N\NC(Nc1ccccc1)=O)cc1)c1Oc(ccc(C(F)(F)F)c1)c1[N+]([O-])=O

InChI

InChI=1S/C22H17F3N4O5/c1-33-20-11-14(13-26-28-21(30)27-16-5-3-2-4-6-16)7-9-19(20)34-18-10-8-15(22(23,24)25)12-17(18)29(31)32/h2-13H,1H3,(H2,27,28,30)

InChI Key

ZAPWEZURFSTTML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01066139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.287

Distribution Coefficient, logD

5.287

Water Solubility, LogSw

-5.54

Polar Surface Area

92.398

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 8009-4821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-4821?
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What is the minimum amount of 8009-4821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-4821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-4821
  • 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 8009-4821 available by request