E002-0949 Screening compound: 7-chloro-5-(2-chlorophenyl)-1-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2,3-dihydro-1H-1,4-benzodiazepin-2-one

E002-0949 Screening compound: 7-chloro-5-(2-chlorophenyl)-1-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2,3-dihydro-1H-1,4-benzodiazepin-2-one
E002-0949 Screening compound: 7-chloro-5-(2-chlorophenyl)-1-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2,3-dihydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-0949
7-chloro-5-(2-chlorophenyl)-1-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-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

E002-0949

Molecular Formula

C28H23Cl2N3O4 (C28 H23 Cl2 N3 O4)

Compound Name

7-chloro-5-(2-chlorophenyl)-1-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2,3-dihydro-1H-1,4-benzodiazepin-2-one

IUPAC name

7-chloro-5-(2-chlorophenyl)-1-{[2-(34-dimethoxyphenyl)-5-methyl-13-oxazol-4-yl]methyl}-23-dihydro-1H-14-benzodiazepin-2-one

SMILES

Cc1c(CN(c(ccc(Cl)c2)c2C(c(cccc2)c2Cl)=NC2)C2=O)nc(-c(cc2)cc(OC)c2OC)o1

InChI

InChI=1S/C28H23Cl2N3O4/c1-16-22(32-28(37-16)17-8-11-24(35-2)25(12-17)36-3)15-33-23-10-9-18(29)13-20(23)27(31-14-26(33)34)19-6-4-5-7-21(19)30/h4-13H,14-15H2,1-3H3

InChI Key

AEDUVWTXMPAHCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.696

Distribution Coefficient, logD

4.696

Water Solubility, LogSw

-4.79

Polar Surface Area

57.324

Acid Dissociation Constant (pKa)

26.66

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

E002-0949 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with E002-0949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-0949?
Check Price and Availability of E002-0949, 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 E002-0949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-0949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-0949
  • 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 E002-0949 available by request