F176-0069 Screening compound: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-[(4-methylphenyl)methyl]benzene-1-sulfonamide

F176-0069 Screening compound: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-[(4-methylphenyl)methyl]benzene-1-sulfonamide
F176-0069 Screening compound: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-[(4-methylphenyl)methyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F176-0069
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-[(4-methylphenyl)methyl]benzene-1-sulfonamide

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

F176-0069

Molecular Formula

C20H22N2O4S (C20 H22 N2 O4 S)

Compound Name

5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-[(4-methylphenyl)methyl]benzene-1-sulfonamide

IUPAC name

5-(35-dimethyl-12-oxazol-4-yl)-2-methoxy-N-[(4-methylphenyl)methyl]benzene-1-sulfonamide

SMILES

Cc1noc(C)c1-c(cc1)cc(S(NCc2ccc(C)cc2)(=O)=O)c1OC

InChI

InChI=1S/C20H22N2O4S/c1-13-5-7-16(8-6-13)12-21-27(23,24)19-11-17(9-10-18(19)25-4)20-14(2)22-26-15(20)3/h5-11,21H,12H2,1-4H3

InChI Key

PSCIWQMFDBZZLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27106898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.575

Distribution Coefficient, logD

3.574

Water Solubility, LogSw

-4.01

Polar Surface Area

71.394

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F176-0069 in Drug Discovery

Included in Screening Libraries

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F176-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F176-0069?
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What is the minimum amount of F176-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F176-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F176-0069
  • 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 F176-0069 available by request