S259-4228 Screening compound: N-{1-[(3,5-DIMETHYL-4-ISOXAZOLYL)METHYL]TETRAHYDRO-1H-PYRROL-3-YL}-2-(3-FLUOROPHENYL)ACETAMIDE

S259-4228 Screening compound: N-{1-[(3,5-DIMETHYL-4-ISOXAZOLYL)METHYL]TETRAHYDRO-1H-PYRROL-3-YL}-2-(3-FLUOROPHENYL)ACETAMIDE
S259-4228 Screening compound: N-{1-[(3,5-DIMETHYL-4-ISOXAZOLYL)METHYL]TETRAHYDRO-1H-PYRROL-3-YL}-2-(3-FLUOROPHENYL)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S259-4228
N-{1-[(3,5-DIMETHYL-4-ISOXAZOLYL)METHYL]TETRAHYDRO-1H-PYRROL-3-YL}-2-(3-FLUOROPHENYL)ACETAMIDE

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

S259-4228

Molecular Formula

C18H22FN3O2 (C18 H22 FN3 O2)

Compound Name

N-{1-[(3,5-DIMETHYL-4-ISOXAZOLYL)METHYL]TETRAHYDRO-1H-PYRROL-3-YL}-2-(3-FLUOROPHENYL)ACETAMIDE

IUPAC name

n/a

SMILES

Cc1noc(C)c1CN(CC1)CC1NC(Cc1cccc(F)c1)=O

InChI

InChI=1S/C18H22FN3O2/c1-12-17(13(2)24-21-12)11-22-7-6-16(10-22)20-18(23)9-14-4-3-5-15(19)8-14/h3-5,8,16H,6-7,9-11H2,1-2H3,(H,20,23)/t16-/m0/s1

InChI Key

AYCWUBCOXDQZHH-INIZCTEOSA-N

MDL Number (MFCD)

MFCD28042130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.794

Distribution Coefficient, logD

-1.318

Water Solubility, LogSw

-2.23

Polar Surface Area

50.042

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

10.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

S259-4228 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S259-4228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S259-4228?
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What is the minimum amount of S259-4228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S259-4228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S259-4228
  • 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 S259-4228 available by request