4444-0181 Screening compound: 4-[1-(benzenesulfonyl)-3-(4-methylbenzenesulfonyl)imidazolidin-2-yl]-2-methoxyphenyl benzenesulfonate

4444-0181 Screening compound: 4-[1-(benzenesulfonyl)-3-(4-methylbenzenesulfonyl)imidazolidin-2-yl]-2-methoxyphenyl benzenesulfonate
4444-0181 Screening compound: 4-[1-(benzenesulfonyl)-3-(4-methylbenzenesulfonyl)imidazolidin-2-yl]-2-methoxyphenyl benzenesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4444-0181
4-[1-(benzenesulfonyl)-3-(4-methylbenzenesulfonyl)imidazolidin-2-yl]-2-methoxyphenyl benzenesulfonate

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

4444-0181

Molecular Formula

C29H28N2O8S3 (C29 H28 N2 O8 S3)

Compound Name

4-[1-(benzenesulfonyl)-3-(4-methylbenzenesulfonyl)imidazolidin-2-yl]-2-methoxyphenyl benzenesulfonate

IUPAC name

4-[1-(benzenesulfonyl)-3-(4-methylbenzenesulfonyl)imidazolidin-2-yl]-2-methoxyphenyl benzenesulfonate

SMILES

Cc(cc1)ccc1S(N(CC1)C(c(cc2)cc(OC)c2OS(c2ccccc2)(=O)=O)N1S(c1ccccc1)(=O)=O)(=O)=O

InChI

InChI=1S/C29H28N2O8S3/c1-22-13-16-25(17-14-22)41(34,35)31-20-19-30(40(32,33)24-9-5-3-6-10-24)29(31)23-15-18-27(28(21-23)38-2)39-42(36,37)26-11-7-4-8-12-26/h3-18,21,29H,19-20H2,1-2H3/t29-/m0/s1

InChI Key

BLFLESADUNAGIK-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD02973539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

628.75

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.835

Distribution Coefficient, logD

4.835

Water Solubility, LogSw

-4.68

Polar Surface Area

107.736

Acid Dissociation Constant (pKa)

24.81

Base Dissociation Constant (pKb)

-6.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.20

References: we are preparing a list of scientific research reports with 4444-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4444-0181?
Check Price and Availability of 4444-0181, 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 4444-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4444-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4444-0181
  • 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 4444-0181 available by request