8019-2477 Screening compound: 4-{1-[4-(4-ethylphenoxy)butyl]-1H-1,3-benzodiazol-2-yl}-1-(prop-2-en-1-yl)pyrrolidin-2-one

8019-2477 Screening compound: 4-{1-[4-(4-ethylphenoxy)butyl]-1H-1,3-benzodiazol-2-yl}-1-(prop-2-en-1-yl)pyrrolidin-2-one
8019-2477 Screening compound: 4-{1-[4-(4-ethylphenoxy)butyl]-1H-1,3-benzodiazol-2-yl}-1-(prop-2-en-1-yl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-2477
4-{1-[4-(4-ethylphenoxy)butyl]-1H-1,3-benzodiazol-2-yl}-1-(prop-2-en-1-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

8019-2477

Molecular Formula

C26H31N3O2 (C26 H31 N3 O2)

Compound Name

4-{1-[4-(4-ethylphenoxy)butyl]-1H-1,3-benzodiazol-2-yl}-1-(prop-2-en-1-yl)pyrrolidin-2-one

IUPAC name

4-{1-[4-(4-ethylphenoxy)butyl]-1H-13-benzodiazol-2-yl}-1-(prop-2-en-1-yl)pyrrolidin-2-one

SMILES

CCc(cc1)ccc1OCCCCn1c(cccc2)c2nc1C(C1)CN(CC=C)C1=O

InChI

InChI=1S/C26H31N3O2/c1-3-15-28-19-21(18-25(28)30)26-27-23-9-5-6-10-24(23)29(26)16-7-8-17-31-22-13-11-20(4-2)12-14-22/h3,5-6,9-14,21H,1,4,7-8,15-19H2,2H3/t21-/m1/s1

InChI Key

VGQPXZYUACZGQZ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD07394471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.124

Distribution Coefficient, logD

5.124

Water Solubility, LogSw

-4.83

Polar Surface Area

34.737

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

8019-2477 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8019-2477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-2477?
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What is the minimum amount of 8019-2477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-2477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-2477
  • 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 8019-2477 available by request