8010-5070 Screening compound: 2-(2-methylphenyl)-3-[(2-methylphenyl)amino]-4,6-dinitro-2H-indazol-1-ium-1-olate

8010-5070 Screening compound: 2-(2-methylphenyl)-3-[(2-methylphenyl)amino]-4,6-dinitro-2H-indazol-1-ium-1-olate
8010-5070 Screening compound: 2-(2-methylphenyl)-3-[(2-methylphenyl)amino]-4,6-dinitro-2H-indazol-1-ium-1-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-5070
2-(2-methylphenyl)-3-[(2-methylphenyl)amino]-4,6-dinitro-2H-indazol-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

8010-5070

Molecular Formula

C21H17N5O5 (C21 H17 N5 O5)

Compound Name

2-(2-methylphenyl)-3-[(2-methylphenyl)amino]-4,6-dinitro-2H-indazol-1-ium-1-olate

IUPAC name

2-(2-methylphenyl)-3-[(2-methylphenyl)amino]-46-dinitro-2H-indazol-1-ium-1-olate

SMILES

Cc(cccc1)c1Nc(n1-c2c(C)cccc2)c2c([N+]([O-])=O)cc([N+]([O-])=O)cc2[n+]1[O-]

InChI

InChI=1S/C21H17N5O5/c1-13-7-3-5-9-16(13)22-21-20-18(11-15(25(28)29)12-19(20)26(30)31)24(27)23(21)17-10-6-4-8-14(17)2/h3-12,22H,1-2H3

InChI Key

YLWNBESIKDPRMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02110521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.220

Distribution Coefficient, logD

5.220

Water Solubility, LogSw

-5.31

Polar Surface Area

96.317

Acid Dissociation Constant (pKa)

15.06

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 8010-5070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-5070?
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What is the minimum amount of 8010-5070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-5070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-5070
  • 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 8010-5070 available by request