C301-4561 Screening compound: N-(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)-[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-amine

C301-4561 Screening compound: N-(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)-[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-amine
C301-4561 Screening compound: N-(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)-[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-4561
N-(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)-[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-amine

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

C301-4561

Molecular Formula

C26H21F3N8O (C26 H21 F3 N8 O)

Compound Name

N-(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)-[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-amine

IUPAC name

N-(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)-[1234]tetrazolo[15-a]quinoxalin-4-amine

SMILES

O=C(c(cc1)ccc1Nc1nc(cccc2)c2n2nnnc12)N(CC1)CCN1c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C26H21F3N8O/c27-26(28,29)18-4-3-5-20(16-18)35-12-14-36(15-13-35)25(38)17-8-10-19(11-9-17)30-23-24-32-33-34-37(24)22-7-2-1-6-21(22)31-23/h1-11,16H,12-15H2,(H,30,31)

InChI Key

RZAILXAMNXAXKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.112

Distribution Coefficient, logD

4.109

Water Solubility, LogSw

-4.37

Polar Surface Area

74.286

Acid Dissociation Constant (pKa)

17.26

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

C301-4561 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

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

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C301-4561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-4561?
Check Price and Availability of C301-4561, 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 C301-4561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-4561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-4561
  • 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 C301-4561 available by request