8019-2123 Screening compound: 1-(2-methoxyphenyl)-4-{1-[(naphthalen-1-yl)methyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

8019-2123 Screening compound: 1-(2-methoxyphenyl)-4-{1-[(naphthalen-1-yl)methyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one
8019-2123 Screening compound: 1-(2-methoxyphenyl)-4-{1-[(naphthalen-1-yl)methyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-2123
1-(2-methoxyphenyl)-4-{1-[(naphthalen-1-yl)methyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-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

8019-2123

Molecular Formula

C29H25N3O2 (C29 H25 N3 O2)

Compound Name

1-(2-methoxyphenyl)-4-{1-[(naphthalen-1-yl)methyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

IUPAC name

1-(2-methoxyphenyl)-4-{1-[(naphthalen-1-yl)methyl]-1H-13-benzodiazol-2-yl}pyrrolidin-2-one

SMILES

COc(cccc1)c1N(CC(C1)c2nc(cccc3)c3n2Cc2cccc3ccccc23)C1=O

InChI

InChI=1S/C29H25N3O2/c1-34-27-16-7-6-15-26(27)31-19-22(17-28(31)33)29-30-24-13-4-5-14-25(24)32(29)18-21-11-8-10-20-9-2-3-12-23(20)21/h2-16,22H,17-19H2,1H3/t22-/m1/s1

InChI Key

SNCUBBQBOPILER-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD04190585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.750

Distribution Coefficient, logD

5.750

Water Solubility, LogSw

-6.62

Polar Surface Area

33.703

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.20

8019-2123 in Drug Discovery

Included in Screening Libraries

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

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-2123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-2123?
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What is the minimum amount of 8019-2123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-2123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-2123
  • 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 8019-2123 available by request