S428-1220 Screening compound: 5,5-dimethyl-3-{3-oxo-3-[3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]propyl}-1H-imidazole-2,4(3H,5H)-dione

S428-1220 Screening compound: 5,5-dimethyl-3-{3-oxo-3-[3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]propyl}-1H-imidazole-2,4(3H,5H)-dione
S428-1220 Screening compound: 5,5-dimethyl-3-{3-oxo-3-[3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]propyl}-1H-imidazole-2,4(3H,5H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S428-1220
5,5-dimethyl-3-{3-oxo-3-[3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]propyl}-1H-imidazole-2,4(3H,5H)-dione

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

S428-1220

Molecular Formula

C19H27N5O5 (C19 H27 N5 O5)

Compound Name

5,5-dimethyl-3-{3-oxo-3-[3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]propyl}-1H-imidazole-2,4(3H,5H)-dione

IUPAC name

55-dimethyl-3-(3-{3-[3-(oxan-4-yl)-124-oxadiazol-5-yl]pyrrolidin-1-yl}-3-oxopropyl)imidazolidine-24-dione

SMILES

CC(C)(C(N1CCC(N(CC2)CC2c2nc(C3CCOCC3)no2)=O)=O)NC1=O

InChI

InChI=1S/C19H27N5O5/c1-19(2)17(26)24(18(27)21-19)8-4-14(25)23-7-3-13(11-23)16-20-15(22-29-16)12-5-9-28-10-6-12/h12-13H,3-11H2,1-2H3,(H,21,27)/t13-/m1/s1

InChI Key

BEVXXUMJFGKVAU-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD29014361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.952

Distribution Coefficient, logD

0.951

Water Solubility, LogSw

-1.89

Polar Surface Area

97.296

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.68

S428-1220 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S428-1220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S428-1220?
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What is the minimum amount of S428-1220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S428-1220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S428-1220
  • 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 S428-1220 available by request