D212-0045 Screening compound: ethyl 2-{2-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-1H-1,3-benzodiazol-1-yl}acetate

D212-0045 Screening compound: ethyl 2-{2-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-1H-1,3-benzodiazol-1-yl}acetate
D212-0045 Screening compound: ethyl 2-{2-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-1H-1,3-benzodiazol-1-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D212-0045
ethyl 2-{2-[1-(2-chlorophenyl)-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

D212-0045

Molecular Formula

C21H20ClN3O3 (C21 H20 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(Cn1c(cccc2)c2nc1C(CC1=O)CN1c(cccc1)c1Cl)=O

InChI

InChI=1S/C21H20ClN3O3/c1-2-28-20(27)13-25-18-10-6-4-8-16(18)23-21(25)14-11-19(26)24(12-14)17-9-5-3-7-15(17)22/h3-10,14H,2,11-13H2,1H3/t14-/m1/s1

InChI Key

MVBZEJCOKZIJCT-CQSZACIVSA-N

MDL Number (MFCD)

MFCD08163151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.86

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

3.736

Distribution Coefficient, logD

3.736

Water Solubility, LogSw

-3.86

Polar Surface Area

46.775

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

D212-0045 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D212-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D212-0045?
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What is the minimum amount of D212-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D212-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D212-0045
  • 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 D212-0045 available by request