C786-0285 Screening compound: 2-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one

C786-0285 Screening compound: 2-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one
C786-0285 Screening compound: 2-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C786-0285
2-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-1H,2H-[1,2,4]triazino[4,5-a]indol-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

C786-0285

Molecular Formula

C21H19N5O4 (C21 H19 N5 O4)

Compound Name

2-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-1H,2H-[1,2,4]triazino[4,5-a]indol-1-one

IUPAC name

2-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-1H2H-[124]triazino[45-a]indol-1-one

SMILES

O=C(CN(C(c1c2)=O)N=Cn1c1c2cccc1)N(CC1)CCN1C(c1ccco1)=O

InChI

InChI=1S/C21H19N5O4/c27-19(23-7-9-24(10-8-23)21(29)18-6-3-11-30-18)13-26-20(28)17-12-15-4-1-2-5-16(15)25(17)14-22-26/h1-6,11-12,14H,7-10,13H2

InChI Key

FQQULNCPTUACIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.542

Distribution Coefficient, logD

0.542

Water Solubility, LogSw

-1.78

Polar Surface Area

71.111

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C786-0285 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C786-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C786-0285?
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What is the minimum amount of C786-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C786-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C786-0285
  • 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 C786-0285 available by request