C735-0309 Screening compound: butyl 4-({8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}amino)benzoate

C735-0309 Screening compound: butyl 4-({8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}amino)benzoate
C735-0309 Screening compound: butyl 4-({8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C735-0309
butyl 4-({8-methyl-[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

C735-0309

Molecular Formula

C21H21N5O2 (C21 H21 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCCOC(c(cc1)ccc1Nc1nc(ccc(C)c2)c2n2c1nnc2)=O

InChI

InChI=1S/C21H21N5O2/c1-3-4-11-28-21(27)15-6-8-16(9-7-15)23-19-20-25-22-13-26(20)18-12-14(2)5-10-17(18)24-19/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,24)

InChI Key

RXUOMGQDWVHUQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14789844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.808

Distribution Coefficient, logD

4.733

Water Solubility, LogSw

-4.63

Polar Surface Area

61.126

Acid Dissociation Constant (pKa)

19.42

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C735-0309 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C735-0309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C735-0309?
Check Price and Availability of C735-0309, 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 C735-0309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C735-0309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C735-0309
  • 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 C735-0309 available by request