SA04-0077 Screening compound: [4-(1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}piperidin-3-yl)-2-methylpyrimidin-5-yl]methanol

SA04-0077 Screening compound: [4-(1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}piperidin-3-yl)-2-methylpyrimidin-5-yl]methanol
SA04-0077 Screening compound: [4-(1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}piperidin-3-yl)-2-methylpyrimidin-5-yl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound SA04-0077
[4-(1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}piperidin-3-yl)-2-methylpyrimidin-5-yl]methanol

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

SA04-0077

Molecular Formula

C22H26N4O4 (C22 H26 N4 O4)

Compound Name

[4-(1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}piperidin-3-yl)-2-methylpyrimidin-5-yl]methanol

IUPAC name

[4-(1-{5-[(35-dimethyl-12-oxazol-4-yl)methyl]furan-2-carbonyl}piperidin-3-yl)-2-methylpyrimidin-5-yl]methanol

SMILES

Cc1noc(C)c1Cc1ccc(C(N(CCC2)CC2c2nc(C)ncc2CO)=O)o1

InChI

InChI=1S/C22H26N4O4/c1-13-19(14(2)30-25-13)9-18-6-7-20(29-18)22(28)26-8-4-5-16(11-26)21-17(12-27)10-23-15(3)24-21/h6-7,10,16,27H,4-5,8-9,11-12H2,1-3H3/t16-/m0/s1

InChI Key

BGPQTAXRNRJECV-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32234132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.204

Distribution Coefficient, logD

2.204

Water Solubility, LogSw

-2.16

Polar Surface Area

82.748

Acid Dissociation Constant (pKa)

15.17

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.46

SA04-0077 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 SA04-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA04-0077?
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What is the minimum amount of SA04-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA04-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA04-0077
  • 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 SA04-0077 available by request