8012-7268 Screening compound: 2,2,2-trifluoro-N-[2,4,6-triphenoxy-3,5-bis(2,2,2-trifluoroacetamido)phenyl]acetamide

8012-7268 Screening compound: 2,2,2-trifluoro-N-[2,4,6-triphenoxy-3,5-bis(2,2,2-trifluoroacetamido)phenyl]acetamide
8012-7268 Screening compound: 2,2,2-trifluoro-N-[2,4,6-triphenoxy-3,5-bis(2,2,2-trifluoroacetamido)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7268
2,2,2-trifluoro-N-[2,4,6-triphenoxy-3,5-bis(2,2,2-trifluoroacetamido)phenyl]acetamide

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

8012-7268

Molecular Formula

C30H18F9N3O6 (C30 H18 F9 N3 O6)

Compound Name

2,2,2-trifluoro-N-[2,4,6-triphenoxy-3,5-bis(2,2,2-trifluoroacetamido)phenyl]acetamide

IUPAC name

222-trifluoro-N-[246-triphenoxy-35-bis(222-trifluoroacetamido)phenyl]acetamide

SMILES

O=C(C(F)(F)F)Nc(c(Oc1ccccc1)c(c(Oc1ccccc1)c1NC(C(F)(F)F)=O)NC(C(F)(F)F)=O)c1Oc1ccccc1

InChI

InChI=1S/C30H18F9N3O6/c31-28(32,33)25(43)40-19-22(46-16-10-4-1-5-11-16)20(41-26(44)29(34,35)36)24(48-18-14-8-3-9-15-18)21(42-27(45)30(37,38)39)23(19)47-17-12-6-2-7-13-17/h1-15H,(H,40,43)(H,41,44)(H,42,45)

InChI Key

OZFXWRGZAPSFPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03308617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

687.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.452

Distribution Coefficient, logD

5.451

Water Solubility, LogSw

-5.81

Polar Surface Area

86.903

Acid Dissociation Constant (pKa)

9.14

Base Dissociation Constant (pKb)

-4.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8012-7268 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8012-7268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7268?
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What is the minimum amount of 8012-7268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7268
  • 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 8012-7268 available by request