3931-2955 Screening compound: 3-(benzenesulfonyl)-3-(4-chlorophenyl)-1-(4-methoxyphenyl)propan-1-one

3931-2955 Screening compound: 3-(benzenesulfonyl)-3-(4-chlorophenyl)-1-(4-methoxyphenyl)propan-1-one
3931-2955 Screening compound: 3-(benzenesulfonyl)-3-(4-chlorophenyl)-1-(4-methoxyphenyl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3931-2955
3-(benzenesulfonyl)-3-(4-chlorophenyl)-1-(4-methoxyphenyl)propan-1-one

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

3931-2955

Molecular Formula

C22H19ClO4S (C22 H19 ClO4 S)

Compound Name

3-(benzenesulfonyl)-3-(4-chlorophenyl)-1-(4-methoxyphenyl)propan-1-one

IUPAC name

3-(benzenesulfonyl)-3-(4-chlorophenyl)-1-(4-methoxyphenyl)propan-1-one

SMILES

COc(cc1)ccc1C(CC(c(cc1)ccc1Cl)S(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C22H19ClO4S/c1-27-19-13-9-16(10-14-19)21(24)15-22(17-7-11-18(23)12-8-17)28(25,26)20-5-3-2-4-6-20/h2-14,22H,15H2,1H3/t22-/m0/s1

InChI Key

XJVLXRMNDAHOKS-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD02127531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.800

Distribution Coefficient, logD

4.800

Water Solubility, LogSw

-5.24

Polar Surface Area

50.258

Acid Dissociation Constant (pKa)

16.34

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

3931-2955 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3931-2955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3931-2955?
Check Price and Availability of 3931-2955, 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 3931-2955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3931-2955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3931-2955
  • 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 3931-2955 available by request