6253-0541 Screening compound: 7-[(1E)-2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)diazen-1-yl]-8-hydroxynaphthalene-1,3-disulfonic acid

6253-0541 Screening compound: 7-[(1E)-2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)diazen-1-yl]-8-hydroxynaphthalene-1,3-disulfonic acid
6253-0541 Screening compound: 7-[(1E)-2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)diazen-1-yl]-8-hydroxynaphthalene-1,3-disulfonic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6253-0541
7-[(1E)-2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)diazen-1-yl]-8-hydroxynaphthalene-1,3-disulfonic acid

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

6253-0541

Molecular Formula

C21H18N4O8S2 (C21 H18 N4 O8 S2)

Compound Name

7-[(1E)-2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)diazen-1-yl]-8-hydroxynaphthalene-1,3-disulfonic acid

IUPAC name

7-[(1E)-2-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)diazen-1-yl]-8-hydroxynaphthalene-13-disulfonic acid

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1/N=N/c1ccc(cc(cc2S(O)(=O)=O)S(O)(=O)=O)c2c1O

InChI

InChI=1S/C21H18N4O8S2/c1-12-19(21(27)25(24(12)2)14-6-4-3-5-7-14)23-22-16-9-8-13-10-15(34(28,29)30)11-17(35(31,32)33)18(13)20(16)26/h3-11,26H,1-2H3,(H,28,29,30)(H,31,32,33)

InChI Key

UGHDVISVXGWXOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.53

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

-1.904

Distribution Coefficient, logD

-15.968

Water Solubility, LogSw

-2.29

Polar Surface Area

141.645

Acid Dissociation Constant (pKa)

-6.66

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 6253-0541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6253-0541?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6253-0541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6253-0541
  • 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 6253-0541 available by request