8004-4544 Screening compound: 4-[(E)-[(2-hydroxy-2-phenylacetamido)imino]methyl]phenyl 3-bromobenzoate

8004-4544 Screening compound: 4-[(E)-[(2-hydroxy-2-phenylacetamido)imino]methyl]phenyl 3-bromobenzoate
8004-4544 Screening compound: 4-[(E)-[(2-hydroxy-2-phenylacetamido)imino]methyl]phenyl 3-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-4544
4-[(E)-[(2-hydroxy-2-phenylacetamido)imino]methyl]phenyl 3-bromobenzoate

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

8004-4544

Molecular Formula

C22H17BrN2O4 (C22 H17 BrN2 O4)

Compound Name

4-[(E)-[(2-hydroxy-2-phenylacetamido)imino]methyl]phenyl 3-bromobenzoate

IUPAC name

4-[(E)-[(2-hydroxy-2-phenylacetamido)imino]methyl]phenyl 3-bromobenzoate

SMILES

OC(C(N/N=C/c(cc1)ccc1OC(c1cccc(Br)c1)=O)=O)c1ccccc1

InChI

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

InChI Key

FTZGQPJFBNHYLX-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD00745793

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

4.131

Distribution Coefficient, logD

4.129

Water Solubility, LogSw

-4.41

Polar Surface Area

71.617

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

4.50

8004-4544 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8004-4544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-4544?
Check Price and Availability of 8004-4544, 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 8004-4544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-4544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-4544
  • 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 8004-4544 available by request