SA73-0591 Screening compound: 4-[4-(cyclopropylmethyl)-4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrimidine

SA73-0591 Screening compound: 4-[4-(cyclopropylmethyl)-4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrimidine
SA73-0591 Screening compound: 4-[4-(cyclopropylmethyl)-4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA73-0591
4-[4-(cyclopropylmethyl)-4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrimidine

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

SA73-0591

Molecular Formula

C21H27N5O3 (C21 H27 N5 O3)

Compound Name

4-[4-(cyclopropylmethyl)-4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrimidine

IUPAC name

4-[4-(cyclopropylmethyl)-4-[5-(oxan-4-yl)-124-oxadiazol-3-yl]piperidine-1-carbonyl]pyrimidine

SMILES

O=C(c1ncncc1)N(CC1)CCC1(CC1CC1)c1noc(C2CCOCC2)n1

InChI

InChI=1S/C21H27N5O3/c27-19(17-3-8-22-14-23-17)26-9-6-21(7-10-26,13-15-1-2-15)20-24-18(29-25-20)16-4-11-28-12-5-16/h3,8,14-16H,1-2,4-7,9-13H2

InChI Key

CCNGWKFCNFNRCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32240379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.447

Distribution Coefficient, logD

2.447

Water Solubility, LogSw

-2.24

Polar Surface Area

76.835

Acid Dissociation Constant (pKa)

25.20

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

SA73-0591 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)

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 SA73-0591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA73-0591?
Check Price and Availability of SA73-0591, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SA73-0591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA73-0591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA73-0591
  • 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 SA73-0591 available by request