C735-0102 Screening compound: propyl 4-({[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}amino)benzoate

C735-0102 Screening compound: propyl 4-({[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}amino)benzoate
C735-0102 Screening compound: propyl 4-({[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C735-0102
propyl 4-({[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}amino)benzoate

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

C735-0102

Molecular Formula

C19H17N5O2 (C19 H17 N5 O2)

Compound Name

propyl 4-({[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}amino)benzoate

IUPAC name

propyl 4-({[124]triazolo[43-a]quinoxalin-4-yl}amino)benzoate

SMILES

CCCOC(c(cc1)ccc1Nc1nc(cccc2)c2n2c1nnc2)=O

InChI

InChI=1S/C19H17N5O2/c1-2-11-26-19(25)13-7-9-14(10-8-13)21-17-18-23-20-12-24(18)16-6-4-3-5-15(16)22-17/h3-10,12H,2,11H2,1H3,(H,21,22)

InChI Key

OOXOHRTWONEWMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14789775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.854

Distribution Coefficient, logD

3.840

Water Solubility, LogSw

-4.00

Polar Surface Area

61.126

Acid Dissociation Constant (pKa)

19.42

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

C735-0102 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C735-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C735-0102?
Check Price and Availability of C735-0102, 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 C735-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C735-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C735-0102
  • 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 C735-0102 available by request