L700-0074 Screening compound: 3-(5-{5-[(1E)-2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl}-1H-1,3-benzodiazol-1-yl)-1-(pyrrolidin-1-yl)propan-1-one

L700-0074 Screening compound: 3-(5-{5-[(1E)-2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl}-1H-1,3-benzodiazol-1-yl)-1-(pyrrolidin-1-yl)propan-1-one
L700-0074 Screening compound: 3-(5-{5-[(1E)-2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl}-1H-1,3-benzodiazol-1-yl)-1-(pyrrolidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L700-0074
3-(5-{5-[(1E)-2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl}-1H-1,3-benzodiazol-1-yl)-1-(pyrrolidin-1-yl)propan-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

L700-0074

Molecular Formula

C25H25N5O3 (C25 H25 N5 O3)

Compound Name

3-(5-{5-[(1E)-2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl}-1H-1,3-benzodiazol-1-yl)-1-(pyrrolidin-1-yl)propan-1-one

IUPAC name

3-(5-{5-[(1E)-2-(4-methoxyphenyl)ethenyl]-124-oxadiazol-3-yl}-1H-13-benzodiazol-1-yl)-1-(pyrrolidin-1-yl)propan-1-one

SMILES

COc1ccc(/C=C/c2nc(-c(cc3)cc4c3n(CCC(N3CCCC3)=O)cn4)no2)cc1

InChI

InChI=1S/C25H25N5O3/c1-32-20-8-4-18(5-9-20)6-11-23-27-25(28-33-23)19-7-10-22-21(16-19)26-17-30(22)15-12-24(31)29-13-2-3-14-29/h4-11,16-17H,2-3,12-15H2,1H3

InChI Key

RUFRCNKYIKQNCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.336

Distribution Coefficient, logD

4.336

Water Solubility, LogSw

-4.41

Polar Surface Area

65.775

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

3.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

L700-0074 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L700-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L700-0074?
Check Price and Availability of L700-0074, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L700-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L700-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L700-0074
  • 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 L700-0074 available by request