8005-7110 Screening compound: 4-bromo-2-[(E)-[(2-hydroxy-2-phenylacetamido)imino]methyl]phenyl benzoate

8005-7110 Screening compound: 4-bromo-2-[(E)-[(2-hydroxy-2-phenylacetamido)imino]methyl]phenyl benzoate
8005-7110 Screening compound: 4-bromo-2-[(E)-[(2-hydroxy-2-phenylacetamido)imino]methyl]phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7110
4-bromo-2-[(E)-[(2-hydroxy-2-phenylacetamido)imino]methyl]phenyl benzoate

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

8005-7110

Molecular Formula

C22H17BrN2O4 (C22 H17 BrN2 O4)

Compound Name

4-bromo-2-[(E)-[(2-hydroxy-2-phenylacetamido)imino]methyl]phenyl benzoate

IUPAC name

4-bromo-2-[(E)-[(2-hydroxy-2-phenylacetamido)imino]methyl]phenyl benzoate

SMILES

OC(C(N/N=C/c(cc(cc1)Br)c1OC(c1ccccc1)=O)=O)c1ccccc1

InChI

InChI=1S/C22H17BrN2O4/c23-18-11-12-19(29-22(28)16-9-5-2-6-10-16)17(13-18)14-24-25-21(27)20(26)15-7-3-1-4-8-15/h1-14,20,26H,(H,25,27)/t20-/m1/s1

InChI Key

KCYMAXBQRGFRMG-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD00787603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.342

Distribution Coefficient, logD

4.325

Water Solubility, LogSw

-4.39

Polar Surface Area

71.703

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

4.50

8005-7110 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8005-7110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7110?
Check Price and Availability of 8005-7110, 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 8005-7110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7110
  • 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 8005-7110 available by request