C735-0090 Screening compound: 1-(4-nitrophenyl)-4-{[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}piperazine

C735-0090 Screening compound: 1-(4-nitrophenyl)-4-{[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}piperazine
C735-0090 Screening compound: 1-(4-nitrophenyl)-4-{[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C735-0090
1-(4-nitrophenyl)-4-{[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}piperazine

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

C735-0090

Molecular Formula

C19H17N7O2 (C19 H17 N7 O2)

Compound Name

1-(4-nitrophenyl)-4-{[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}piperazine

IUPAC name

1-(4-nitrophenyl)-4-{[124]triazolo[43-a]quinoxalin-4-yl}piperazine

SMILES

[O-][N+](c(cc1)ccc1N(CC1)CCN1c1nc(cccc2)c2n2c1nnc2)=O

InChI

InChI=1S/C19H17N7O2/c27-26(28)15-7-5-14(6-8-15)23-9-11-24(12-10-23)18-19-22-20-13-25(19)17-4-2-1-3-16(17)21-18/h1-8,13H,9-12H2

InChI Key

SHKYRBMDWWCTPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14789769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.130

Distribution Coefficient, logD

3.125

Water Solubility, LogSw

-3.22

Polar Surface Area

70.553

Acid Dissociation Constant (pKa)

23.60

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

C735-0090 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 C735-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C735-0090?
Check Price and Availability of C735-0090, 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 C735-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C735-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C735-0090
  • 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 C735-0090 available by request