8005-7114 Screening compound: 2,4-dibromo-6-[(E)-[(2-hydroxy-2,2-diphenylacetamido)imino]methyl]phenyl 3-fluorobenzoate

8005-7114 Screening compound: 2,4-dibromo-6-[(E)-[(2-hydroxy-2,2-diphenylacetamido)imino]methyl]phenyl 3-fluorobenzoate
8005-7114 Screening compound: 2,4-dibromo-6-[(E)-[(2-hydroxy-2,2-diphenylacetamido)imino]methyl]phenyl 3-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7114
2,4-dibromo-6-[(E)-[(2-hydroxy-2,2-diphenylacetamido)imino]methyl]phenyl 3-fluorobenzoate

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

8005-7114

Molecular Formula

C28H19Br2FN2O4 (C28 H19 Br2 FN2 O4)

Compound Name

2,4-dibromo-6-[(E)-[(2-hydroxy-2,2-diphenylacetamido)imino]methyl]phenyl 3-fluorobenzoate

IUPAC name

24-dibromo-6-[(E)-[(2-hydroxy-22-diphenylacetamido)imino]methyl]phenyl 3-fluorobenzoate

SMILES

OC(C(N/N=C/c1cc(Br)cc(Br)c1OC(c1cc(F)ccc1)=O)=O)(c1ccccc1)c1ccccc1

InChI

InChI=1S/C28H19Br2FN2O4/c29-22-14-19(25(24(30)16-22)37-26(34)18-8-7-13-23(31)15-18)17-32-33-27(35)28(36,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-17,36H,(H,33,35)

InChI Key

RVPBLOHUDYOIJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00821716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

626.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.672

Distribution Coefficient, logD

6.122

Water Solubility, LogSw

-6.08

Polar Surface Area

70.902

Acid Dissociation Constant (pKa)

6.99

Base Dissociation Constant (pKb)

-2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.60

8005-7114 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8005-7114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7114?
Check Price and Availability of 8005-7114, 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 8005-7114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7114
  • 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 8005-7114 available by request