E002-0864 Screening compound: 1-{[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one

E002-0864 Screening compound: 1-{[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
E002-0864 Screening compound: 1-{[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-0864
1-{[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one

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

E002-0864

Molecular Formula

C26H20BrN3O2 (C26 H20 BrN3 O2)

Compound Name

1-{[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one

IUPAC name

1-{[2-(3-bromophenyl)-5-methyl-13-oxazol-4-yl]methyl}-5-phenyl-23-dihydro-1H-14-benzodiazepin-2-one

SMILES

Cc1c(CN(c(cccc2)c2C(c2ccccc2)=NC2)C2=O)nc(-c2cccc(Br)c2)o1

InChI

InChI=1S/C26H20BrN3O2/c1-17-22(29-26(32-17)19-10-7-11-20(27)14-19)16-30-23-13-6-5-12-21(23)25(28-15-24(30)31)18-8-3-2-4-9-18/h2-14H,15-16H2,1H3

InChI Key

BFIHUIPFFCODLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.022

Distribution Coefficient, logD

5.022

Water Solubility, LogSw

-4.71

Polar Surface Area

42.064

Acid Dissociation Constant (pKa)

27.28

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

E002-0864 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E002-0864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-0864?
Check Price and Availability of E002-0864, 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 E002-0864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-0864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-0864
  • 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 E002-0864 available by request