E881-0277 Screening compound: 1-{8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-1,2,3,4-tetrahydroquinoline

E881-0277 Screening compound: 1-{8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-1,2,3,4-tetrahydroquinoline
E881-0277 Screening compound: 1-{8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound E881-0277
1-{8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-1,2,3,4-tetrahydroquinoline

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

E881-0277

Molecular Formula

C26H21N5O (C26 H21 N5 O)

Compound Name

1-{8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-1,2,3,4-tetrahydroquinoline

IUPAC name

1-{8-benzoyl-1-methyl-[124]triazolo[43-a]quinoxalin-4-yl}-1234-tetrahydroquinoline

SMILES

Cc1nnc2n1c(cc(cc1)C(c3ccccc3)=O)c1nc2N(CCC1)c2c1cccc2

InChI

InChI=1S/C26H21N5O/c1-17-28-29-26-25(30-15-7-11-18-8-5-6-12-22(18)30)27-21-14-13-20(16-23(21)31(17)26)24(32)19-9-3-2-4-10-19/h2-6,8-10,12-14,16H,7,11,15H2,1H3

InChI Key

DVXCURIODHAVKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.871

Distribution Coefficient, logD

4.866

Water Solubility, LogSw

-4.61

Polar Surface Area

46.214

Acid Dissociation Constant (pKa)

21.22

Base Dissociation Constant (pKb)

7.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

E881-0277 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E881-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E881-0277?
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What is the minimum amount of E881-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E881-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E881-0277
  • 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 E881-0277 available by request