L700-0080 Screening compound: 3-{5-[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-1H-1,3-benzodiazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one

L700-0080 Screening compound: 3-{5-[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-1H-1,3-benzodiazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one
L700-0080 Screening compound: 3-{5-[5-(2H-1,3-benzodioxol-5-yl)-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 L700-0080
3-{5-[5-(2H-1,3-benzodioxol-5-yl)-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

L700-0080

Molecular Formula

C23H21N5O4 (C23 H21 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCn1c(ccc(-c2noc(-c(cc3)cc4c3OCO4)n2)c2)c2nc1)N1CCCC1

InChI

InChI=1S/C23H21N5O4/c29-21(27-8-1-2-9-27)7-10-28-13-24-17-11-15(3-5-18(17)28)22-25-23(32-26-22)16-4-6-19-20(12-16)31-14-30-19/h3-6,11-13H,1-2,7-10,14H2

InChI Key

RICLAOPMHAYFEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.455

Distribution Coefficient, logD

3.455

Water Solubility, LogSw

-3.62

Polar Surface Area

75.681

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

3.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

L700-0080 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with L700-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L700-0080?
Check Price and Availability of L700-0080, 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 L700-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L700-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L700-0080
  • 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 L700-0080 available by request