D347-2702 Screening compound: ethyl 2-{2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1H-1,3-benzodiazol-1-yl}acetate

D347-2702 Screening compound: ethyl 2-{2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1H-1,3-benzodiazol-1-yl}acetate
D347-2702 Screening compound: ethyl 2-{2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1H-1,3-benzodiazol-1-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-2702
ethyl 2-{2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1H-1,3-benzodiazol-1-yl}acetate

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

D347-2702

Molecular Formula

C22H23N3O3 (C22 H23 N3 O3)

Compound Name

ethyl 2-{2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1H-1,3-benzodiazol-1-yl}acetate

IUPAC name

ethyl 2-{2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1H-13-benzodiazol-1-yl}acetate

SMILES

CCOC(Cn1c(cccc2)c2nc1C(CC1=O)CN1c1ccc(C)cc1)=O

InChI

InChI=1S/C22H23N3O3/c1-3-28-21(27)14-25-19-7-5-4-6-18(19)23-22(25)16-12-20(26)24(13-16)17-10-8-15(2)9-11-17/h4-11,16H,3,12-14H2,1-2H3/t16-/m1/s1

InChI Key

OTBQZFPJYPYVBZ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD09148319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.753

Distribution Coefficient, logD

3.753

Water Solubility, LogSw

-3.78

Polar Surface Area

47.076

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

D347-2702 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D347-2702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-2702?
Check Price and Availability of D347-2702, 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 D347-2702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-2702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-2702
  • 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 D347-2702 available by request