S511-1073 Screening compound: 2-(9-{1H,4H-chromeno[4,3-c]pyrazole-3-carbonyl}-1-oxa-9-azaspiro[5.5]undecan-4-yl)-1-(pyrrolidin-1-yl)ethan-1-one

S511-1073 Screening compound: 2-(9-{1H,4H-chromeno[4,3-c]pyrazole-3-carbonyl}-1-oxa-9-azaspiro[5.5]undecan-4-yl)-1-(pyrrolidin-1-yl)ethan-1-one
S511-1073 Screening compound: 2-(9-{1H,4H-chromeno[4,3-c]pyrazole-3-carbonyl}-1-oxa-9-azaspiro[5.5]undecan-4-yl)-1-(pyrrolidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S511-1073
2-(9-{1H,4H-chromeno[4,3-c]pyrazole-3-carbonyl}-1-oxa-9-azaspiro[5.5]undecan-4-yl)-1-(pyrrolidin-1-yl)ethan-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

S511-1073

Molecular Formula

C26H32N4O4 (C26 H32 N4 O4)

Compound Name

2-(9-{1H,4H-chromeno[4,3-c]pyrazole-3-carbonyl}-1-oxa-9-azaspiro[5.5]undecan-4-yl)-1-(pyrrolidin-1-yl)ethan-1-one

IUPAC name

2-(9-{1H4H-chromeno[43-c]pyrazole-3-carbonyl}-1-oxa-9-azaspiro[5.5]undecan-4-yl)-1-(pyrrolidin-1-yl)ethan-1-one

SMILES

O=C(CC1CC(CC2)(CCN2C(c2n[nH]c-3c2COc2c3cccc2)=O)OCC1)N1CCCC1

InChI

InChI=1S/C26H32N4O4/c31-22(29-10-3-4-11-29)15-18-7-14-34-26(16-18)8-12-30(13-9-26)25(32)24-20-17-33-21-6-2-1-5-19(21)23(20)27-28-24/h1-2,5-6,18H,3-4,7-17H2,(H,27,28)/t18-/m0/s1

InChI Key

DZTZQBLNHQARKX-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32224610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.588

Distribution Coefficient, logD

2.588

Water Solubility, LogSw

-3.20

Polar Surface Area

72.467

Acid Dissociation Constant (pKa)

6.53

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.69

S511-1073 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S511-1073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S511-1073?
Check Price and Availability of S511-1073, 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 S511-1073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S511-1073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S511-1073
  • 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 S511-1073 available by request