D212-0369 Screening compound: ethyl 2-[2-(1-methyl-5-oxopyrrolidin-3-yl)-1H-1,3-benzodiazol-1-yl]acetate

D212-0369 Screening compound: ethyl 2-[2-(1-methyl-5-oxopyrrolidin-3-yl)-1H-1,3-benzodiazol-1-yl]acetate
D212-0369 Screening compound: ethyl 2-[2-(1-methyl-5-oxopyrrolidin-3-yl)-1H-1,3-benzodiazol-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D212-0369
ethyl 2-[2-(1-methyl-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

D212-0369

Molecular Formula

C16H19N3O3 (C16 H19 N3 O3)

Compound Name

ethyl 2-[2-(1-methyl-5-oxopyrrolidin-3-yl)-1H-1,3-benzodiazol-1-yl]acetate

IUPAC name

ethyl 2-[2-(1-methyl-5-oxopyrrolidin-3-yl)-1H-13-benzodiazol-1-yl]acetate

SMILES

CCOC(Cn1c(cccc2)c2nc1C(C1)CN(C)C1=O)=O

InChI

InChI=1S/C16H19N3O3/c1-3-22-15(21)10-19-13-7-5-4-6-12(13)17-16(19)11-8-14(20)18(2)9-11/h4-7,11H,3,8-10H2,1-2H3/t11-/m1/s1

InChI Key

XDOITTHTOUGHSY-LLVKDONJSA-N

MDL Number (MFCD)

MFCD07792105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.455

Distribution Coefficient, logD

1.448

Water Solubility, LogSw

-1.86

Polar Surface Area

47.508

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

5.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

D212-0369 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D212-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D212-0369?
Check Price and Availability of D212-0369, 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 D212-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D212-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D212-0369
  • 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 D212-0369 available by request