L948-1888 Screening compound: (2E)-1-{2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-3-(3,4-dimethoxyphenyl)prop-2-en-1-one

L948-1888 Screening compound: (2E)-1-{2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
L948-1888 Screening compound: (2E)-1-{2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-3-(3,4-dimethoxyphenyl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L948-1888
(2E)-1-{2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-3-(3,4-dimethoxyphenyl)prop-2-en-1-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

L948-1888

Molecular Formula

C23H22ClN3O4 (C23 H22 ClN3 O4)

Compound Name

(2E)-1-{2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-3-(3,4-dimethoxyphenyl)prop-2-en-1-one

IUPAC name

(2E)-1-{2-[3-(3-chlorophenyl)-124-oxadiazol-5-yl]pyrrolidin-1-yl}-3-(34-dimethoxyphenyl)prop-2-en-1-one

SMILES

COc(ccc(/C=C/C(N(CCC1)C1c1nc(-c2cccc(Cl)c2)no1)=O)c1)c1OC

InChI

InChI=1S/C23H22ClN3O4/c1-29-19-10-8-15(13-20(19)30-2)9-11-21(28)27-12-4-7-18(27)23-25-22(26-31-23)16-5-3-6-17(24)14-16/h3,5-6,8-11,13-14,18H,4,7,12H2,1-2H3/t18-/m0/s1

InChI Key

PFYBKIPIKOQVTO-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27489071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.870

Distribution Coefficient, logD

4.870

Water Solubility, LogSw

-5.16

Polar Surface Area

63.086

Acid Dissociation Constant (pKa)

25.99

Base Dissociation Constant (pKb)

-3.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

L948-1888 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with L948-1888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L948-1888?
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What is the minimum amount of L948-1888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L948-1888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L948-1888
  • 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 L948-1888 available by request