D093-0009 Screening compound: 4-(benzenesulfonyl)-2-(4-fluorophenyl)-5-[(2-fluorophenyl)methanesulfonyl]-1,3-oxazole

D093-0009 Screening compound: 4-(benzenesulfonyl)-2-(4-fluorophenyl)-5-[(2-fluorophenyl)methanesulfonyl]-1,3-oxazole
D093-0009 Screening compound: 4-(benzenesulfonyl)-2-(4-fluorophenyl)-5-[(2-fluorophenyl)methanesulfonyl]-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D093-0009
4-(benzenesulfonyl)-2-(4-fluorophenyl)-5-[(2-fluorophenyl)methanesulfonyl]-1,3-oxazole

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

D093-0009

Molecular Formula

C22H15F2NO5S2 (C22 H15 F2 NO5 S2)

Compound Name

4-(benzenesulfonyl)-2-(4-fluorophenyl)-5-[(2-fluorophenyl)methanesulfonyl]-1,3-oxazole

IUPAC name

4-(benzenesulfonyl)-2-(4-fluorophenyl)-5-[(2-fluorophenyl)methanesulfonyl]-13-oxazole

SMILES

O=S(Cc(cccc1)c1F)(c(oc(-c(cc1)ccc1F)n1)c1S(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C22H15F2NO5S2/c23-17-12-10-15(11-13-17)20-25-21(32(28,29)18-7-2-1-3-8-18)22(30-20)31(26,27)14-16-6-4-5-9-19(16)24/h1-13H,14H2

InChI Key

CIMCKIQLVFYXTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12968534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.715

Distribution Coefficient, logD

4.715

Water Solubility, LogSw

-4.86

Polar Surface Area

76.705

Acid Dissociation Constant (pKa)

20.10

Base Dissociation Constant (pKb)

-12.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

D093-0009 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D093-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D093-0009?
Check Price and Availability of D093-0009, 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 D093-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D093-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D093-0009
  • 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 D093-0009 available by request