0688-1920 Screening compound: 4-[(3-methoxyphenyl)amino]-2,6-bis(propan-2-yl)phenyl 4-methylbenzene-1-sulfonate

0688-1920 Screening compound: 4-[(3-methoxyphenyl)amino]-2,6-bis(propan-2-yl)phenyl 4-methylbenzene-1-sulfonate
0688-1920 Screening compound: 4-[(3-methoxyphenyl)amino]-2,6-bis(propan-2-yl)phenyl 4-methylbenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0688-1920
4-[(3-methoxyphenyl)amino]-2,6-bis(propan-2-yl)phenyl 4-methylbenzene-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

0688-1920

Molecular Formula

C26H31NO4S (C26 H31 NO4 S)

Compound Name

4-[(3-methoxyphenyl)amino]-2,6-bis(propan-2-yl)phenyl 4-methylbenzene-1-sulfonate

IUPAC name

4-[(3-methoxyphenyl)amino]-26-bis(propan-2-yl)phenyl 4-methylbenzene-1-sulfonate

SMILES

CC(C)c1cc(Nc2cc(OC)ccc2)cc(C(C)C)c1OS(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C26H31NO4S/c1-17(2)24-15-21(27-20-8-7-9-22(14-20)30-6)16-25(18(3)4)26(24)31-32(28,29)23-12-10-19(5)11-13-23/h7-18,27H,1-6H3

InChI Key

AQJWTYPOYWXJEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00623675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.100

Distribution Coefficient, logD

7.100

Water Solubility, LogSw

-5.87

Polar Surface Area

52.629

Acid Dissociation Constant (pKa)

20.37

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with 0688-1920 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0688-1920?
Check Price and Availability of 0688-1920, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0688-1920 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0688-1920
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0688-1920
  • 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 0688-1920 available by request