SA04-0499 Screening compound: 3-[2-(3-{5-[(2-methoxyethoxy)methyl]-2-methylpyrimidin-4-yl}piperidin-1-yl)-2-oxoethyl]-2,3-dihydro-1,3-benzoxazol-2-one

SA04-0499 Screening compound: 3-[2-(3-{5-[(2-methoxyethoxy)methyl]-2-methylpyrimidin-4-yl}piperidin-1-yl)-2-oxoethyl]-2,3-dihydro-1,3-benzoxazol-2-one
SA04-0499 Screening compound: 3-[2-(3-{5-[(2-methoxyethoxy)methyl]-2-methylpyrimidin-4-yl}piperidin-1-yl)-2-oxoethyl]-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA04-0499
3-[2-(3-{5-[(2-methoxyethoxy)methyl]-2-methylpyrimidin-4-yl}piperidin-1-yl)-2-oxoethyl]-2,3-dihydro-1,3-benzoxazol-2-one

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

SA04-0499

Molecular Formula

C23H28N4O5 (C23 H28 N4 O5)

Compound Name

3-[2-(3-{5-[(2-methoxyethoxy)methyl]-2-methylpyrimidin-4-yl}piperidin-1-yl)-2-oxoethyl]-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

3-[2-(3-{5-[(2-methoxyethoxy)methyl]-2-methylpyrimidin-4-yl}piperidin-1-yl)-2-oxoethyl]-23-dihydro-13-benzoxazol-2-one

SMILES

Cc1ncc(COCCOC)c(C(CCC2)CN2C(CN(c(cccc2)c2O2)C2=O)=O)n1

InChI

InChI=1S/C23H28N4O5/c1-16-24-12-18(15-31-11-10-30-2)22(25-16)17-6-5-9-26(13-17)21(28)14-27-19-7-3-4-8-20(19)32-23(27)29/h3-4,7-8,12,17H,5-6,9-11,13-15H2,1-2H3/t17-/m0/s1

InChI Key

KQINTBOIBGMNJP-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32233950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.301

Distribution Coefficient, logD

1.301

Water Solubility, LogSw

-1.80

Polar Surface Area

75.293

Acid Dissociation Constant (pKa)

21.59

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.83

SA04-0499 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA04-0499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA04-0499?
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What is the minimum amount of SA04-0499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA04-0499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA04-0499
  • 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 SA04-0499 available by request