SA71-0802 Screening compound: 3-(cyclopropylmethyl)-1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidine

SA71-0802 Screening compound: 3-(cyclopropylmethyl)-1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidine
SA71-0802 Screening compound: 3-(cyclopropylmethyl)-1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA71-0802
3-(cyclopropylmethyl)-1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-3-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidine

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

SA71-0802

Molecular Formula

C23H32N4O5 (C23 H32 N4 O5)

Compound Name

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

IUPAC name

3-(cyclopropylmethyl)-1-[4-(methoxymethyl)-5-methyl-12-oxazole-3-carbonyl]-3-[5-(oxan-4-yl)-124-oxadiazol-3-yl]piperidine

SMILES

Cc1c(COC)c(C(N(CCC2)CC2(CC2CC2)c2noc(C3CCOCC3)n2)=O)no1

InChI

InChI=1S/C23H32N4O5/c1-15-18(13-29-2)19(25-31-15)21(28)27-9-3-8-23(14-27,12-16-4-5-16)22-24-20(32-26-22)17-6-10-30-11-7-17/h16-17H,3-14H2,1-2H3/t23-/m1/s1

InChI Key

XCDKFNGZSKBJJU-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD32240533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.018

Distribution Coefficient, logD

3.018

Water Solubility, LogSw

-2.70

Polar Surface Area

87.234

Acid Dissociation Constant (pKa)

22.66

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.91

SA71-0802 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 SA71-0802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA71-0802?
Check Price and Availability of SA71-0802, 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 SA71-0802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA71-0802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA71-0802
  • 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 SA71-0802 available by request