C301-0220 Screening compound: 5-[(4-chloro-2-methoxy-5-methylphenyl)amino]-2-(3-methylphenyl)-4-nitro-2H-1,2,3-triazol-1-ium-1-olate

C301-0220 Screening compound: 5-[(4-chloro-2-methoxy-5-methylphenyl)amino]-2-(3-methylphenyl)-4-nitro-2H-1,2,3-triazol-1-ium-1-olate
C301-0220 Screening compound: 5-[(4-chloro-2-methoxy-5-methylphenyl)amino]-2-(3-methylphenyl)-4-nitro-2H-1,2,3-triazol-1-ium-1-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-0220
5-[(4-chloro-2-methoxy-5-methylphenyl)amino]-2-(3-methylphenyl)-4-nitro-2H-1,2,3-triazol-1-ium-1-olate

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

C301-0220

Molecular Formula

C17H16ClN5O4 (C17 H16 ClN5 O4)

Compound Name

5-[(4-chloro-2-methoxy-5-methylphenyl)amino]-2-(3-methylphenyl)-4-nitro-2H-1,2,3-triazol-1-ium-1-olate

IUPAC name

5-[(4-chloro-2-methoxy-5-methylphenyl)amino]-2-(3-methylphenyl)-4-nitro-2H-123-triazol-1-ium-1-olate

SMILES

Cc1cccc(-n(nc2[N+]([O-])=O)[n+]([O-])c2Nc(c(OC)c2)cc(C)c2Cl)c1

InChI

InChI=1S/C17H16ClN5O4/c1-10-5-4-6-12(7-10)21-20-17(23(25)26)16(22(21)24)19-14-8-11(2)13(18)9-15(14)27-3/h4-9,19H,1-3H3

InChI Key

IGOIITUNOVUBFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.8

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.732

Distribution Coefficient, logD

4.732

Water Solubility, LogSw

-4.99

Polar Surface Area

83.016

Acid Dissociation Constant (pKa)

11.88

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with C301-0220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-0220?
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What is the minimum amount of C301-0220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-0220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-0220
  • 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 C301-0220 available by request