SB49-1100 Screening compound: 2-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-9-oxa-2-azaspiro[5.5]undecane-1-carboxamide

SB49-1100 Screening compound: 2-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-9-oxa-2-azaspiro[5.5]undecane-1-carboxamide
SB49-1100 Screening compound: 2-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-9-oxa-2-azaspiro[5.5]undecane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB49-1100
2-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-9-oxa-2-azaspiro[5.5]undecane-1-carboxamide

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

SB49-1100

Molecular Formula

C19H30N4O3 (C19 H30 N4 O3)

Compound Name

2-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-9-oxa-2-azaspiro[5.5]undecane-1-carboxamide

IUPAC name

2-[3-(135-trimethyl-1H-pyrazol-4-yl)propanoyl]-9-oxa-2-azaspiro[5.5]undecane-1-carboxamide

SMILES

Cc1c(CCC(N(CCCC23CCOCC3)C2C(N)=O)=O)c(C)nn1C

InChI

InChI=1S/C19H30N4O3/c1-13-15(14(2)22(3)21-13)5-6-16(24)23-10-4-7-19(17(23)18(20)25)8-11-26-12-9-19/h17H,4-12H2,1-3H3,(H2,20,25)/t17-/m1/s1

InChI Key

QLDPTEWZPOKENL-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32248104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.339

Distribution Coefficient, logD

-0.340

Water Solubility, LogSw

0.29

Polar Surface Area

72.604

Acid Dissociation Constant (pKa)

14.55

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.68

SB49-1100 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SB49-1100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB49-1100?
Check Price and Availability of SB49-1100, 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 SB49-1100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB49-1100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB49-1100
  • 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 SB49-1100 available by request