8013-2821 Screening compound: N-[2-(4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide

8013-2821 Screening compound: N-[2-(4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
8013-2821 Screening compound: N-[2-(4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2821
N-[2-(4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide

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

8013-2821

Molecular Formula

C28H17F7N2O6 (C28 H17 F7 N2 O6)

Compound Name

N-[2-(4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide

IUPAC name

N-[2-(4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide

SMILES

COc(cc(cc1)C(Nc(cc(C(F)(F)F)cc2)c2Oc(cc2)ccc2F)=O)c1Oc(ccc(C(F)(F)F)c1)c1[N+]([O-])=O

InChI

InChI=1S/C28H17F7N2O6/c1-41-25-12-15(2-9-24(25)43-23-11-4-17(28(33,34)35)14-21(23)37(39)40)26(38)36-20-13-16(27(30,31)32)3-10-22(20)42-19-7-5-18(29)6-8-19/h2-14H,1H3,(H,36,38)

InChI Key

UIPRVOHKUAQBMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03764169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

610.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.441

Distribution Coefficient, logD

7.439

Water Solubility, LogSw

-5.77

Polar Surface Area

77.098

Acid Dissociation Constant (pKa)

9.82

Base Dissociation Constant (pKb)

-2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

References: we are preparing a list of scientific research reports with 8013-2821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2821?
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What is the minimum amount of 8013-2821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2821
  • 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 8013-2821 available by request