SB49-1287 Screening compound: [1-(1-pyrrolidinylcarbonyl)-9-oxa-2-azaspiro[5.5]undec-2-yl][4-(trifluoromethoxy)phenyl]methanone

SB49-1287 Screening compound: [1-(1-pyrrolidinylcarbonyl)-9-oxa-2-azaspiro[5.5]undec-2-yl][4-(trifluoromethoxy)phenyl]methanone
SB49-1287 Screening compound: [1-(1-pyrrolidinylcarbonyl)-9-oxa-2-azaspiro[5.5]undec-2-yl][4-(trifluoromethoxy)phenyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB49-1287
[1-(1-pyrrolidinylcarbonyl)-9-oxa-2-azaspiro[5.5]undec-2-yl][4-(trifluoromethoxy)phenyl]methanone

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

SB49-1287

Molecular Formula

C22H27F3N2O4 (C22 H27 F3 N2 O4)

Compound Name

[1-(1-pyrrolidinylcarbonyl)-9-oxa-2-azaspiro[5.5]undec-2-yl][4-(trifluoromethoxy)phenyl]methanone

IUPAC name

1-(pyrrolidine-1-carbonyl)-2-[4-(trifluoromethoxy)benzoyl]-9-oxa-2-azaspiro[5.5]undecane

SMILES

O=C(C(C1(CCC2)CCOCC1)N2C(c(cc1)ccc1OC(F)(F)F)=O)N1CCCC1

InChI

InChI=1S/C22H27F3N2O4/c23-22(24,25)31-17-6-4-16(5-7-17)19(28)27-13-3-8-21(9-14-30-15-10-21)18(27)20(29)26-11-1-2-12-26/h4-7,18H,1-3,8-15H2/t18-/m1/s1

InChI Key

JQRXVCGVIPIZHF-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32248375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.301

Distribution Coefficient, logD

3.301

Water Solubility, LogSw

-3.51

Polar Surface Area

47.185

Acid Dissociation Constant (pKa)

22.84

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.64

References: we are preparing a list of scientific research reports with SB49-1287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB49-1287?
Check Price and Availability of SB49-1287, 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 SB49-1287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB49-1287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB49-1287
  • 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 SB49-1287 available by request