C850-0644 Screening compound: butyl 4-({[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-yl}amino)benzoate

C850-0644 Screening compound: butyl 4-({[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-yl}amino)benzoate
C850-0644 Screening compound: butyl 4-({[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-yl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C850-0644
butyl 4-({[1,2,3,4]tetrazolo[1,5-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

C850-0644

Molecular Formula

C19H18N6O2 (C19 H18 N6 O2)

Compound Name

butyl 4-({[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-yl}amino)benzoate

IUPAC name

butyl 4-({[1234]tetrazolo[15-a]quinoxalin-4-yl}amino)benzoate

SMILES

CCCCOC(c(cc1)ccc1Nc1nc(cccc2)c2n2nnnc12)=O

InChI

InChI=1S/C19H18N6O2/c1-2-3-12-27-19(26)13-8-10-14(11-9-13)20-17-18-22-23-24-25(18)16-7-5-4-6-15(16)21-17/h4-11H,2-3,12H2,1H3,(H,20,21)

InChI Key

ZNOFNPAYIURXTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.350

Distribution Coefficient, logD

4.347

Water Solubility, LogSw

-4.21

Polar Surface Area

75.425

Acid Dissociation Constant (pKa)

17.76

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with C850-0644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C850-0644?
Check Price and Availability of C850-0644, 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 C850-0644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C850-0644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C850-0644
  • 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 C850-0644 available by request