3336-3282 Screening compound: propan-2-yl 2-[5-(4-ethoxybenzenesulfonamido)-2-hydroxyphenyl]-4,4,4-trifluoro-3-oxobutanoate

3336-3282 Screening compound: propan-2-yl 2-[5-(4-ethoxybenzenesulfonamido)-2-hydroxyphenyl]-4,4,4-trifluoro-3-oxobutanoate
3336-3282 Screening compound: propan-2-yl 2-[5-(4-ethoxybenzenesulfonamido)-2-hydroxyphenyl]-4,4,4-trifluoro-3-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3336-3282
propan-2-yl 2-[5-(4-ethoxybenzenesulfonamido)-2-hydroxyphenyl]-4,4,4-trifluoro-3-oxobutanoate

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

3336-3282

Molecular Formula

C21H22F3NO7S (C21 H22 F3 NO7 S)

Compound Name

propan-2-yl 2-[5-(4-ethoxybenzenesulfonamido)-2-hydroxyphenyl]-4,4,4-trifluoro-3-oxobutanoate

IUPAC name

propan-2-yl 2-[5-(4-ethoxybenzenesulfonamido)-2-hydroxyphenyl]-444-trifluoro-3-oxobutanoate

SMILES

CCOc(cc1)ccc1S(Nc(cc1)cc(C(C(C(F)(F)F)=O)C(OC(C)C)=O)c1O)(=O)=O

InChI

InChI=1S/C21H22F3NO7S/c1-4-31-14-6-8-15(9-7-14)33(29,30)25-13-5-10-17(26)16(11-13)18(19(27)21(22,23)24)20(28)32-12(2)3/h5-12,18,25-26H,4H2,1-3H3/t18-/m0/s1

InChI Key

UEKRIDQPWNLRDS-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03015700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.201

Distribution Coefficient, logD

4.153

Water Solubility, LogSw

-3.87

Polar Surface Area

98.731

Acid Dissociation Constant (pKa)

8.33

Base Dissociation Constant (pKb)

-11.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

3336-3282 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3336-3282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3336-3282?
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What is the minimum amount of 3336-3282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3336-3282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3336-3282
  • 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 3336-3282 available by request