C850-0542 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-amine

C850-0542 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-amine
C850-0542 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C850-0542
N-(4-chloro-2-methoxy-5-methylphenyl)-[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

C850-0542

Molecular Formula

C16H13ClN6O (C16 H13 ClN6 O)

Compound Name

N-(4-chloro-2-methoxy-5-methylphenyl)-[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-amine

IUPAC name

N-(4-chloro-2-methoxy-5-methylphenyl)-[1234]tetrazolo[15-a]quinoxalin-4-amine

SMILES

Cc(cc(c(OC)c1)Nc2nc(cccc3)c3n3nnnc23)c1Cl

InChI

InChI=1S/C16H13ClN6O/c1-9-7-12(14(24-2)8-10(9)17)19-15-16-20-21-22-23(16)13-6-4-3-5-11(13)18-15/h3-8H,1-2H3,(H,18,19)

InChI Key

KTULALQVNJUUNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.77

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.031

Distribution Coefficient, logD

3.713

Water Solubility, LogSw

-4.30

Polar Surface Area

61.310

Acid Dissociation Constant (pKa)

16.39

Base Dissociation Constant (pKb)

7.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with C850-0542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C850-0542?
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What is the minimum amount of C850-0542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C850-0542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C850-0542
  • 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 C850-0542 available by request