8019-2496 Screening compound: 4-{1-[3-(2,3-dimethylphenoxy)propyl]-1H-1,3-benzodiazol-2-yl}-1-(prop-2-en-1-yl)pyrrolidin-2-one

8019-2496 Screening compound: 4-{1-[3-(2,3-dimethylphenoxy)propyl]-1H-1,3-benzodiazol-2-yl}-1-(prop-2-en-1-yl)pyrrolidin-2-one
8019-2496 Screening compound: 4-{1-[3-(2,3-dimethylphenoxy)propyl]-1H-1,3-benzodiazol-2-yl}-1-(prop-2-en-1-yl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-2496
4-{1-[3-(2,3-dimethylphenoxy)propyl]-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

8019-2496

Molecular Formula

C25H29N3O2 (C25 H29 N3 O2)

Compound Name

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

IUPAC name

4-{1-[3-(23-dimethylphenoxy)propyl]-1H-13-benzodiazol-2-yl}-1-(prop-2-en-1-yl)pyrrolidin-2-one

SMILES

Cc1cccc(OCCCn2c(cccc3)c3nc2C(C2)CN(CC=C)C2=O)c1C

InChI

InChI=1S/C25H29N3O2/c1-4-13-27-17-20(16-24(27)29)25-26-21-10-5-6-11-22(21)28(25)14-8-15-30-23-12-7-9-18(2)19(23)3/h4-7,9-12,20H,1,8,13-17H2,2-3H3/t20-/m1/s1

InChI Key

ZSYDQYQYSSVOJK-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD07394458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.811

Distribution Coefficient, logD

4.811

Water Solubility, LogSw

-4.56

Polar Surface Area

34.824

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

8019-2496 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-2496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-2496?
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What is the minimum amount of 8019-2496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-2496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-2496
  • 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 8019-2496 available by request