L651-0095 Screening compound: 3,4,5-trimethoxy-N-[5-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]benzamide

L651-0095 Screening compound: 3,4,5-trimethoxy-N-[5-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
L651-0095 Screening compound: 3,4,5-trimethoxy-N-[5-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L651-0095
3,4,5-trimethoxy-N-[5-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]benzamide

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

L651-0095

Molecular Formula

C21H19N5O6 (C21 H19 N5 O6)

Compound Name

3,4,5-trimethoxy-N-[5-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]benzamide

IUPAC name

345-trimethoxy-N-[5-(4-methyl-3-oxo-34-dihydroquinoxalin-2-yl)-134-oxadiazol-2-yl]benzamide

SMILES

CN(c(cccc1)c1N=C1c2nnc(NC(c(cc3OC)cc(OC)c3OC)=O)o2)C1=O

InChI

InChI=1S/C21H19N5O6/c1-26-13-8-6-5-7-12(13)22-16(20(26)28)19-24-25-21(32-19)23-18(27)11-9-14(29-2)17(31-4)15(10-11)30-3/h5-10H,1-4H3,(H,23,25,27)

InChI Key

RBZABYSWQVTPTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15132675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.41

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.889

Distribution Coefficient, logD

0.463

Water Solubility, LogSw

-2.21

Polar Surface Area

101.384

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

L651-0095 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L651-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L651-0095?
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What is the minimum amount of L651-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L651-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L651-0095
  • 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 L651-0095 available by request