SB11-0202 Screening compound: 1-(4-hydroxy-4-{[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}piperidin-1-yl)-3-(3-methoxyphenyl)propan-1-one

SB11-0202 Screening compound: 1-(4-hydroxy-4-{[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}piperidin-1-yl)-3-(3-methoxyphenyl)propan-1-one
SB11-0202 Screening compound: 1-(4-hydroxy-4-{[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}piperidin-1-yl)-3-(3-methoxyphenyl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SB11-0202
1-(4-hydroxy-4-{[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}piperidin-1-yl)-3-(3-methoxyphenyl)propan-1-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

SB11-0202

Molecular Formula

C23H31N5O5 (C23 H31 N5 O5)

Compound Name

1-(4-hydroxy-4-{[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}piperidin-1-yl)-3-(3-methoxyphenyl)propan-1-one

IUPAC name

1-(4-hydroxy-4-{[4-(morpholine-4-carbonyl)-1H-123-triazol-1-yl]methyl}piperidin-1-yl)-3-(3-methoxyphenyl)propan-1-one

SMILES

COc1cccc(CCC(N(CC2)CCC2(Cn2nnc(C(N3CCOCC3)=O)c2)O)=O)c1

InChI

InChI=1S/C23H31N5O5/c1-32-19-4-2-3-18(15-19)5-6-21(29)26-9-7-23(31,8-10-26)17-28-16-20(24-25-28)22(30)27-11-13-33-14-12-27/h2-4,15-16,31H,5-14,17H2,1H3

InChI Key

AKBAYHFQFOPNSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32246286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.138

Distribution Coefficient, logD

0.138

Water Solubility, LogSw

-1.27

Polar Surface Area

90.546

Acid Dissociation Constant (pKa)

15.47

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.52

SB11-0202 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with SB11-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB11-0202?
Check Price and Availability of SB11-0202, 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 SB11-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB11-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB11-0202
  • 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 SB11-0202 available by request