SC44-0028 Screening compound: 2-{[9-(4-bromo-2-fluorobenzyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]oxy}-N,N-dimethylacetamide

SC44-0028 Screening compound: 2-{[9-(4-bromo-2-fluorobenzyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]oxy}-N,N-dimethylacetamide
SC44-0028 Screening compound: 2-{[9-(4-bromo-2-fluorobenzyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]oxy}-N,N-dimethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC44-0028
2-{[9-(4-bromo-2-fluorobenzyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]oxy}-N,N-dimethylacetamide

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

SC44-0028

Molecular Formula

C20H28BrFN2O3 (C20 H28 BrFN2 O3)

Compound Name

2-{[9-(4-bromo-2-fluorobenzyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]oxy}-N,N-dimethylacetamide

IUPAC name

2-({9-[(4-bromo-2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl}oxy)-NN-dimethylacetamide

SMILES

CN(C)C(COC1CC2(CCN(Cc(ccc(Br)c3)c3F)CC2)OCC1)=O

InChI

InChI=1S/C20H28BrFN2O3/c1-23(2)19(25)14-26-17-5-10-27-20(12-17)6-8-24(9-7-20)13-15-3-4-16(21)11-18(15)22/h3-4,11,17H,5-10,12-14H2,1-2H3/t17-/m1/s1

InChI Key

NUUZICXPZIXZLK-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32258170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.425

Distribution Coefficient, logD

2.028

Water Solubility, LogSw

-2.69

Polar Surface Area

33.059

Acid Dissociation Constant (pKa)

21.27

Base Dissociation Constant (pKb)

7.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

SC44-0028 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS BBB Library (22607 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 SC44-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC44-0028?
Check Price and Availability of SC44-0028, 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 SC44-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC44-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC44-0028
  • 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 SC44-0028 available by request