2092-1362A Screening compound: 4-nitrophenyl 2,4,6-tris(propan-2-yl)benzene-1-sulfonate

2092-1362A Screening compound: 4-nitrophenyl 2,4,6-tris(propan-2-yl)benzene-1-sulfonate
2092-1362A Screening compound: 4-nitrophenyl 2,4,6-tris(propan-2-yl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2092-1362A
4-nitrophenyl 2,4,6-tris(propan-2-yl)benzene-1-sulfonate

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

2092-1362A

Molecular Formula

C21H27NO5S (C21 H27 NO5 S)

Compound Name

4-nitrophenyl 2,4,6-tris(propan-2-yl)benzene-1-sulfonate

IUPAC name

4-nitrophenyl 246-tris(propan-2-yl)benzene-1-sulfonate

SMILES

CC(C)c(cc1C(C)C)cc(C(C)C)c1S(Oc(cc1)ccc1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C21H27NO5S/c1-13(2)16-11-19(14(3)4)21(20(12-16)15(5)6)28(25,26)27-18-9-7-17(8-10-18)22(23)24/h7-15H,1-6H3

InChI Key

VVFDKPPGYZURFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01120226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.148

Distribution Coefficient, logD

6.148

Water Solubility, LogSw

-5.60

Polar Surface Area

69.381

Acid Dissociation Constant (pKa)

22.40

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 2092-1362A chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2092-1362A?
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What is the minimum amount of 2092-1362A you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2092-1362A
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2092-1362A
  • 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 2092-1362A available by request