8019-2492 Screening compound: 4-[1-(2-{2-methoxy-4-[(1E)-prop-1-en-1-yl]phenoxy}ethyl)-1H-1,3-benzodiazol-2-yl]-1-(prop-2-en-1-yl)pyrrolidin-2-one

8019-2492 Screening compound: 4-[1-(2-{2-methoxy-4-[(1E)-prop-1-en-1-yl]phenoxy}ethyl)-1H-1,3-benzodiazol-2-yl]-1-(prop-2-en-1-yl)pyrrolidin-2-one
8019-2492 Screening compound: 4-[1-(2-{2-methoxy-4-[(1E)-prop-1-en-1-yl]phenoxy}ethyl)-1H-1,3-benzodiazol-2-yl]-1-(prop-2-en-1-yl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-2492
4-[1-(2-{2-methoxy-4-[(1E)-prop-1-en-1-yl]phenoxy}ethyl)-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

8019-2492

Molecular Formula

C26H29N3O3 (C26 H29 N3 O3)

Compound Name

4-[1-(2-{2-methoxy-4-[(1E)-prop-1-en-1-yl]phenoxy}ethyl)-1H-1,3-benzodiazol-2-yl]-1-(prop-2-en-1-yl)pyrrolidin-2-one

IUPAC name

4-[1-(2-{2-methoxy-4-[(1E)-prop-1-en-1-yl]phenoxy}ethyl)-1H-13-benzodiazol-2-yl]-1-(prop-2-en-1-yl)pyrrolidin-2-one

SMILES

C/C=C/c(cc1)cc(OC)c1OCCn1c(cccc2)c2nc1C(C1)CN(CC=C)C1=O

InChI

InChI=1S/C26H29N3O3/c1-4-8-19-11-12-23(24(16-19)31-3)32-15-14-29-22-10-7-6-9-21(22)27-26(29)20-17-25(30)28(18-20)13-5-2/h4-12,16,20H,2,13-15,17-18H2,1,3H3/t20-/m1/s1

InChI Key

QOSYHYFLASJACX-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD08143973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.688

Distribution Coefficient, logD

4.688

Water Solubility, LogSw

-4.47

Polar Surface Area

42.454

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

8019-2492 in Drug Discovery

Included in Screening Libraries

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

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 8019-2492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-2492?
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What is the minimum amount of 8019-2492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-2492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-2492
  • 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 8019-2492 available by request