L700-0813 Screening compound: 1-(azepan-1-yl)-3-{5-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1H-1,3-benzodiazol-1-yl}propan-1-one

L700-0813 Screening compound: 1-(azepan-1-yl)-3-{5-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1H-1,3-benzodiazol-1-yl}propan-1-one
L700-0813 Screening compound: 1-(azepan-1-yl)-3-{5-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1H-1,3-benzodiazol-1-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L700-0813
1-(azepan-1-yl)-3-{5-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1H-1,3-benzodiazol-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

L700-0813

Molecular Formula

C26H29N5O2 (C26 H29 N5 O2)

Compound Name

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

IUPAC name

1-(azepan-1-yl)-3-{5-[5-(34-dimethylphenyl)-124-oxadiazol-3-yl]-1H-13-benzodiazol-1-yl}propan-1-one

SMILES

Cc(cc1)c(C)cc1-c1nc(-c(cc2)cc3c2n(CCC(N2CCCCCC2)=O)cn3)no1

InChI

InChI=1S/C26H29N5O2/c1-18-7-8-21(15-19(18)2)26-28-25(29-33-26)20-9-10-23-22(16-20)27-17-31(23)14-11-24(32)30-12-5-3-4-6-13-30/h7-10,15-17H,3-6,11-14H2,1-2H3

InChI Key

NPAJFDXCTUOAEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.234

Distribution Coefficient, logD

5.234

Water Solubility, LogSw

-4.97

Polar Surface Area

58.531

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

3.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

L700-0813 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with L700-0813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L700-0813?
Check Price and Availability of L700-0813, 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 L700-0813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L700-0813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L700-0813
  • 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 L700-0813 available by request