C850-0245 Screening compound: methyl 4-({8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}amino)benzoate

C850-0245 Screening compound: methyl 4-({8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}amino)benzoate
C850-0245 Screening compound: methyl 4-({8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C850-0245
methyl 4-({8-chloro-[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

C850-0245

Molecular Formula

C17H12ClN5O2 (C17 H12 ClN5 O2)

Compound Name

methyl 4-({8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}amino)benzoate

IUPAC name

methyl 4-({8-chloro-[124]triazolo[43-a]quinoxalin-4-yl}amino)benzoate

SMILES

COC(c(cc1)ccc1Nc1nc(ccc(Cl)c2)c2n2c1nnc2)=O

InChI

InChI=1S/C17H12ClN5O2/c1-25-17(24)10-2-5-12(6-3-10)20-15-16-22-19-9-23(16)14-8-11(18)4-7-13(14)21-15/h2-9H,1H3,(H,20,21)

InChI Key

MLTJUZQEFHUTJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.533

Distribution Coefficient, logD

3.519

Water Solubility, LogSw

-4.07

Polar Surface Area

61.252

Acid Dissociation Constant (pKa)

19.42

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

C850-0245 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C850-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C850-0245?
Check Price and Availability of C850-0245, 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 C850-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C850-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C850-0245
  • 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 C850-0245 available by request